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GTP-binding nuclear protein Ran

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle. GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis.

AlphaFold DB , UniProt , Accession A0A060WCT5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 247 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.8Very low44.7Very low200 Ų200123.7 Ų123.799%0.98562%0.62SS**  0-42.20-143.8167.979.600112.8
2L34.6Very low44.7Very low142 Ų142121.9 Ų121.974%0.74361%0.613SS**Hα-helixtrans-70.5-31.2-179-76.5154.7000115.1Y4 I5 Q6L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 2.88Å; L2-I5 PolarHBondContact O-N 3.15Å; L2-Q6 PolarHBondContact O-N 3.22Å
3V41.7Very low44.7Very low131 Ų131122.2 Ų122.279%0.79461%0.611SS**Hα-helixtrans-70-27.8179.2-1610000112.7
4Y38.6Very low44.9Very low189 Ų189120.3 Ų120.374%0.74160%0.604SS**Hα-helixtrans-78-33.5-179.1-152-96.8000112L2 F7 V8L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 2.88Å; Y4-F7 PolarHBondContact O-N 3.25Å; Y4-V8 WeakPolarHBondContact O-CG2 3.45Å; Y4-V8 PolarHBondContact O-N 3.34Å
5I45.3Very low44.9Very low92 Ų92122.6 Ų122.647%0.47260%0.603SS.*Hα-helixtrans-73.7-37.3179.3-62172.1000110.5L2 F7 I9L2-I5 PolarHBondContact O-N 3.15Å; I5-F7 VanDerWaalsContact C-N 3.28Å; I5-F7 PolarHBondContact O-N 3.21Å; I5-I9 HydrophobicContact CG2-CD1 4.23Å; I5-I9 WeakPolarHBondContact O-CG1 3.5Å; I5-I9 PolarHBondContact O-N 3.02Å
6Q40.5Very low45.2Very low134 Ų134120.2 Ų120.263%0.62659%0.593SS**Hα-helixtrans-63.8-33.2175.8-146.694.89.200112.2L2 I10L2-Q6 PolarHBondContact O-N 3.22Å; Q6-I10 WeakPolarHBondContact O-CD1 3.5Å; Q6-I10 WeakPolarHBondContact O-CG1 3.29Å; Q6-I10 PolarHBondContact O-N 3.4Å
7F43.6Very low45.1Very low146 Ų146119.4 Ų119.464%0.6459%0.592SS**Hα-helixtrans-74.7-37.7-178-153.8-96.9000112.8Y4 I5 I9 I10 V11Y4-F7 PolarHBondContact O-N 3.25Å; I5-F7 VanDerWaalsContact C-N 3.28Å; I5-F7 PolarHBondContact O-N 3.21Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.22Å; F7-I10 PolarHBondContact O-N 3Å; F7-V11 HydrophobicContact CD1-CG2 4.35Å; F7-V11 HydrophobicContact CE1-CG2 4.35Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.79Å
8V50.3Low45.2Very low80 Ų80118.9 Ų118.949%0.48559%0.588SS.*Hα-helixtrans-66.8-35177.2175.20000111.8Y4 N12Y4-V8 WeakPolarHBondContact O-CG2 3.45Å; Y4-V8 PolarHBondContact O-N 3.34Å; V8-N12 PolarHBondContact O-N 3.45Å; V8-N12 VanDerWaalsContact O-N 3.15Å
9I47.4Very low45.4Very low87 Ų87121.2 Ų121.245%0.44659%0.589SS.*Hα-helixtrans-68.8-40.8178.8-65.7170.9000111.2I5 F7 V11 N12 Q13I5-I9 HydrophobicContact CG2-CD1 4.23Å; I5-I9 WeakPolarHBondContact O-CG1 3.5Å; I5-I9 PolarHBondContact O-N 3.02Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.22Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 2.78Å; I9-N12 PolarHBondContact O-N 3.33Å; I9-Q13 HydrophobicContact CG2-CG 4.44Å; I9-Q13 WeakPolarHBondContact O-CG 3.4Å; I9-Q13 PolarHBondContact O-N 3.05Å
10I49Very low45.3Very low94 Ų94123.7 Ų123.748%0.48260%0.599SS.*Hα-helixtrans-65.6-38.5178.7-66.4167.4000111.3Q6 F7 N14Q6-I10 WeakPolarHBondContact O-CD1 3.5Å; Q6-I10 WeakPolarHBondContact O-CG1 3.29Å; Q6-I10 PolarHBondContact O-N 3.4Å; F7-I10 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 VanDerWaalsContact O-N 3.15Å
11V51.8Low45.2Very low66 Ų66125.9 Ų125.940%0.461%0.609SS.*Hα-helixtrans-67.2-42.5177.6175.80000111.3F7 I9 N14 W15F7-V11 HydrophobicContact CD1-CG2 4.35Å; F7-V11 HydrophobicContact CE1-CG2 4.35Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.79Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 2.78Å; V11-N14 PolarHBondContact O-N 3.1Å; V11-W15 VanDerWaalsContact O-CD1 3.31Å; V11-W15 PolarHBondContact O-N 3.25Å; V11-W15 VanDerWaalsContact O-N 3.12Å
12N45Very low45.1Very low102 Ų102126.1 Ų126.155%0.54560%0.598SS.*Hα-helixtrans-69.8-38.7178.5-98.8-12.1000113.1V8 I9 N14 W15 D16V8-N12 PolarHBondContact O-N 3.45Å; V8-N12 VanDerWaalsContact O-N 3.15Å; I9-N12 PolarHBondContact O-N 3.33Å; N12-N14 VanDerWaalsContact C-N 3.32Å; N12-N14 PolarHBondContact O-N 3.45Å; N12-W15 PolarHBondContact O-N 3.48Å; N12-D16 PolarHBondContact O-N 2.97Å; N12-D16 VanDerWaalsContact O-N 3.12Å
13Q44.7Very low45.8Very low126 Ų126127.5 Ų127.559%0.58960%0.601SS**Hα-helixtrans-66.3-33.6176.6-74.4-173.3-18.700112.6I9 N17I9-Q13 HydrophobicContact CG2-CG 4.44Å; I9-Q13 WeakPolarHBondContact O-CG 3.4Å; I9-Q13 PolarHBondContact O-N 3.05Å; Q13-N17 WeakPolarHBondContact O-CB 3.43Å; Q13-N17 PolarHBondContact O-N 3.42Å
14N46.8Very low46Very low95 Ų95130.1 Ų130.151%0.50860%0.604SS.*Hα-helixtrans-70.3-32.4172.2-94-15.6000112.9I10 V11 N12 Q18I10-N14 PolarHBondContact O-N 3Å; I10-N14 VanDerWaalsContact O-N 3.15Å; V11-N14 PolarHBondContact O-N 3.1Å; N12-N14 VanDerWaalsContact C-N 3.32Å; N12-N14 PolarHBondContact O-N 3.45Å; N14-Q18 VanDerWaalsContact O-CG 3.29Å; N14-Q18 WeakPolarHBondContact O-CG 3.44Å; N14-Q18 PolarHBondContact O-N 3.12Å
15W45.8Very low46.1Very low155 Ų155131 Ų13159%0.58761%0.612SS**Hα-helixtrans-68.7-41.9177.1-97.571.5000113V11 N12 Q18 R19V11-W15 VanDerWaalsContact O-CD1 3.31Å; V11-W15 PolarHBondContact O-N 3.25Å; V11-W15 VanDerWaalsContact O-N 3.12Å; N12-W15 PolarHBondContact O-N 3.48Å; W15-Q18 PolarHBondContact O-N 3.44Å; W15-R19 PolarHBondContact O-N 3.15Å
16D49.9Very low45.8Very low84 Ų84135.8 Ų135.845%0.44963%0.629SS.*Hα-helixtrans-75.2-33.4178.7-79.4-28000112.7N12 Q18 R19 H20N12-D16 PolarHBondContact O-N 2.97Å; N12-D16 VanDerWaalsContact O-N 3.12Å; D16-Q18 PolarHBondContact O-N 3.47Å; D16-R19 PolarHBondContact O-N 2.99Å; D16-R19 IonicContact OD1-NH1 2.83Å; D16-R19 PolarHBondContact OD1-NH1 3.18Å; D16-H20 PolarHBondContact O-N 3.39Å
17N43.3Very low45.7Very low107 Ų107135.7 Ų135.757%0.57264%0.641SS**Hα-helixtrans-63.9-29.3171.6-86.4-17000112.9Q13Q13-N17 WeakPolarHBondContact O-CB 3.43Å; Q13-N17 PolarHBondContact O-N 3.42Å
18Q47.3Very low45.4Very low111 Ų111134.2 Ų134.252%0.51964%0.644SS.*Hα-helixtrans-77.9-23.3176.3-76.1-178.514.900113.7N14 W15 D16N14-Q18 VanDerWaalsContact O-CG 3.29Å; N14-Q18 WeakPolarHBondContact O-CG 3.44Å; N14-Q18 PolarHBondContact O-N 3.12Å; W15-Q18 PolarHBondContact O-N 3.44Å; D16-Q18 PolarHBondContact O-N 3.47Å
19R47.7Very low45.1Very low161 Ų161137.4 Ų137.461%0.60866%0.663SS**Hα-helixtrans-72.4-40.2174.9-76.7-176.8-179.8148.9-6.4112.1W15 D16 Q21 R22W15-R19 PolarHBondContact O-N 3.15Å; D16-R19 PolarHBondContact O-N 2.99Å; D16-R19 IonicContact OD1-NH1 2.83Å; D16-R19 PolarHBondContact OD1-NH1 3.18Å; R19-Q21 PolarHBondContact O-N 2.85Å; R19-R22 PolarHBondContact O-N 3.12Å
20H44.8Very low44.6Very low172 Ų172140.8 Ų140.880%0.79668%0.677SS**THydrogen-bonded Turntrans-70.4-11.8-178.8-84.2-65.1000114.7D16D16-H20 PolarHBondContact O-N 3.39Å
21Q42.9Very low44Very low170 Ų170141.5 Ų141.579%0.79469%0.69SS**THydrogen-bonded Turntrans-98.12.7177.4-68.5-174.89.300114.5R19R19-Q21 PolarHBondContact O-N 2.85Å
22R47.2Very low43.4Very low204 Ų204144.9 Ų144.977%0.7771%0.711SS**  trans-98.91.7-173.5-78.7-174.4179.7-1712116.1R19R19-R22 PolarHBondContact O-N 3.12Å
23E47.9Very low43Very low171 Ų171148.3 Ų148.380%0.79973%0.726SS**SBendtrans-100121.3172.7-71.3-179163.300110
24H46.8Very low42.9Very low186 Ų186146.7 Ų146.786%0.86173%0.734SS**  trans88.368.4-179.9-54.9-58.2000118.7
25K40.7Very low43Very low208 Ų208151.5 Ų151.590%0.90475%0.754SS**  trans-133.2120.5143.1-81.2-174177.1174.80110.9
26K38.9Very low43.5Very low192 Ų192147.3 Ų147.384%0.83576%0.758SS**  trans-65.6152.2172.4-72.6-179.3178.6-178.50110.2T28K26-T28 PolarHBondContact O-N 3.05Å; K26-T28 VanDerWaalsContact O-N 3.15Å
27P37.7Very low43.8Very low133 Ų133150 Ų15086%0.86477%0.768SS**  trans-77.6106-173.230.8-31.9000110.6
28T37.8Very low44.8Very low115 Ų115146.4 Ų146.471%0.70675%0.751SS**  trans-88.4125158.936.30000108.4K26 H30K26-T28 PolarHBondContact O-N 3.05Å; K26-T28 VanDerWaalsContact O-N 3.15Å; T28-H30 PolarHBondContact O-N 3.38Å
29T44.6Very low46.2Very low146 Ų146150.4 Ų150.490%0.89677%0.769SS**  trans-56.393.5174.444.30000110.9
30H35.3Very low48.4Very low159 Ų159145.5 Ų145.574%0.73676%0.757SS**  trans-104.5120.2156.6-83.4-65000107.3T28 T32T28-H30 PolarHBondContact O-N 3.38Å; H30-T32 PolarHBondContact O-N 3.2Å
31S38.3Very low50.9Low108 Ų108141.7 Ų141.776%0.75574%0.74SS**  trans-51.1108.2167.452.50000108.9M33S31-M33 PolarHBondContact O-N 3.07Å
32T38.8Very low53.5Low137 Ų137134.6 Ų134.684%0.8471%0.706SS**  trans-58110166.8-37.60000106.3H30 A34H30-T32 PolarHBondContact O-N 3.2Å; T32-A34 PolarHBondContact O-N 2.85Å
33M36.3Very low55.9Low174 Ų174126.1 Ų126.186%0.85768%0.675SS**  trans-57.5118168.1-68.1-164.5-175.500106.3S31 E35S31-M33 PolarHBondContact O-N 3.07Å; M33-E35 PolarHBondContact O-N 3.32Å
34A43.3Very low58.3Low92 Ų92118 Ų11876%0.7664%0.637SS**  trans-55.2123.816700000106.8T32 G36T32-A34 PolarHBondContact O-N 2.85Å; A34-G36 VanDerWaalsContact C-N 3.31Å; A34-G36 PolarHBondContact O-N 3.24Å
35E48.9Very low60.7Low197 Ų197109.2 Ų109.292%0.92160%0.596SS**  trans-55.9103.5164.9-77.5178.7153.900106.4M33M33-E35 PolarHBondContact O-N 3.32Å
36G55Low63.4Low66 Ų6699.3 Ų99.368%0.6855%0.553SS**PPolyproline II helixtrans-59.2144.3-178.900000109.8A34A34-G36 VanDerWaalsContact C-N 3.31Å; A34-G36 PolarHBondContact O-N 3.24Å
37E57.6Low66.1Low141 Ų14190.2 Ų90.266%0.65951%0.514SS*.PPolyproline II helixtrans-52.9142.1174.8-70.1-149.5112.300110.7Q39 K91E37-Q39 PolarHBondContact O-N 3.43Å; E37-K91 IonicContact OE1-NZ 3.19Å; E37-K91 PolarHBondContact OE1-NZ 2.83Å
38P63.1Low68.9Low31 Ų3183.9 Ų83.920%0.20147%0.473CS..PPolyproline II helixtrans-51120.1172.5-24.331.4000109.8V40 V82 A89 K91P38-V40 PolarHBondContact O-N 3.06Å; P38-V82 HydrophobicContact CG-CG1 4.22Å; P38-V82 HydrophobicContact CG-CG2 4.28Å; P38-A89 HydrophobicContact CB-CB 4.19Å; P38-A89 HydrophobicContact CG-CB 4.34Å; P38-K91 HydrophobicContact CB-CB 4.16Å; P38-K91 HydrophobicContact CG-CB 4.27Å
39Q76.2Confident71.5Confident196 Ų19679.5 Ų79.592%0.91645%0.445SS*.SBendtrans-65-22.5-177.4-69.3-170.9-900112.5E37E37-Q39 PolarHBondContact O-N 3.43Å
40V94.1Very high73.8Confident57 Ų5773.5 Ų73.535%0.34541%0.412SS..EExtended strand (participates in β ladder)trans-105.2113.5179.1-176.60000109.9P38 F42 I90 K91 I200P38-V40 PolarHBondContact O-N 3.06Å; V40-F42 HydrophobicContact CG1-CD2 4.33Å; V40-F42 HydrophobicContact CG1-CE2 3.45Å; V40-F42 VanDerWaalsContact CG1-CE2 3.45Å; V40-F42 HydrophobicContact CG1-CZ 3.6Å; V40-I90 HydrophobicContact CG1-CG1 4.49Å; V40-K91 PolarHBondContact O-N 2.85Å; V40-I200 HydrophobicContact CG1-CD1 4.01Å
41Q96.9Very high76.5Confident93 Ų9367.2 Ų67.244%0.43539%0.39SS..EExtended strand (participates in β ladder)trans-133.3143.7176.964.9-179.21300112.5K91Q41-K91 CarbonylContact C-O 3.5Å; Q41-K91 WeakPolarHBondContact CA-O 3.01Å; Q41-K91 HydrophobicContact CB-CB 4.04Å; Q41-K91 HydrophobicContact CB-CD 4.49Å
42F98.2Very high79.3Confident21 Ų2162 Ų629%0.09235%0.354CS..EExtended strand (participates in β ladder)trans-127.2135.7179.3-59.5-73000111.1V40 L44 I90 K91 Y92 N93 Q115 L199 I200V40-F42 HydrophobicContact CG1-CD2 4.33Å; V40-F42 HydrophobicContact CG1-CE2 3.45Å; V40-F42 VanDerWaalsContact CG1-CE2 3.45Å; V40-F42 HydrophobicContact CG1-CZ 3.6Å; F42-L44 PolarHBondContact O-N 2.96Å; F42-I90 HydrophobicContact CD2-CG2 3.72Å; F42-I90 HydrophobicContact CE2-CG2 3.8Å; F42-K91 PolarHBondContact N-O 3.41Å; F42-Y92 HydrophobicContact CB-CD1 3.9Å; F42-Y92 HydrophobicContact CB-CE1 3.98Å; F42-Y92 HydrophobicContact CD2-CE1 4.07Å; F42-Y92 HydrophobicContact CG-CE1 4.38Å; F42-Y92 WeakPolarHBondContact O-CA 3.37Å; F42-N93 PolarHBondContact O-N 2.83Å; F42-Q115 VanDerWaalsContact CA-OE1 3.26Å; F42-Q115 HydrophobicContact CB-CB 4.44Å; F42-Q115 HydrophobicContact CD1-CB 4.19Å; F42-L199 HydrophobicContact CB-CD1 4.16Å; F42-L199 HydrophobicContact CD1-CB 4.37Å; F42-L199 HydrophobicContact CD1-CD1 3.96Å; F42-L199 HydrophobicContact CD1-CD2 4.08Å; F42-L199 HydrophobicContact CD1-CG 4.37Å; F42-L199 HydrophobicContact CD2-CD1 3.83Å; F42-L199 HydrophobicContact CE1-CB 3.9Å; F42-L199 HydrophobicContact CE1-CD1 4.32Å; F42-L199 HydrophobicContact CE1-CD2 4.19Å; F42-L199 HydrophobicContact CE1-CG 4.37Å; F42-L199 HydrophobicContact CE2-CB 4.04Å; F42-L199 HydrophobicContact CE2-CD1 4.18Å; F42-L199 HydrophobicContact CG-CD1 3.71Å; F42-L199 HydrophobicContact CZ-CB 3.73Å; F42-L199 HydrophobicContact CZ-CD1 4.43Å; F42-I200 HydrophobicContact CE2-CD1 4.01Å; F42-I200 HydrophobicContact CZ-CD1 3.86Å
43K98.1Very high82Confident26 Ų2656.1 Ų56.111%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-74.5116.7164.7179.8171171.91740109.1W95 Y110 I112 Q115 C116K43-W95 HydrophobicContact CD-CZ2 4.37Å; K43-Y110 WeakPolarHBondContact CE-O 3.17Å; K43-Y110 PolarHBondContact NZ-O 3.41Å; K43-I112 PolarHBondContact NZ-O 3.05Å; K43-Q115 PolarHBondContact O-N 3.07Å; K43-C116 PolarHBondContact O-N 2.86Å
44L98.4Very high84.8Confident1 Ų148.3 Ų48.31%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-109.9123.1173.9-173.6154.4000108.8F42 L46 Y92 N93 V94 W95 C116 I118 F192 L195F42-L44 PolarHBondContact O-N 2.96Å; L44-L46 HydrophobicContact CD2-CB 4.18Å; L44-Y92 HydrophobicContact CB-CD1 4.05Å; L44-Y92 HydrophobicContact CD1-CD1 3.85Å; L44-Y92 HydrophobicContact CD1-CE1 4.32Å; L44-Y92 HydrophobicContact CD1-CG 4.24Å; L44-N93 PolarHBondContact N-O 3.3Å; L44-V94 HydrophobicContact CB-CG2 4.33Å; L44-V94 HydrophobicContact CD2-CB 4.48Å; L44-V94 HydrophobicContact CD2-CG1 3.86Å; L44-V94 HydrophobicContact CD2-CG2 4.21Å; L44-V94 CarbonylContact O-C 3.54Å; L44-V94 WeakPolarHBondContact O-CA 3.39Å; L44-W95 PolarHBondContact O-N 3.2Å; L44-C116 WeakPolarHBondContact CA-O 3.3Å; L44-I118 HydrophobicContact CD1-CD1 4.04Å; L44-I118 HydrophobicContact CD1-CG1 4.28Å; L44-I118 HydrophobicContact CD2-CB 4.49Å; L44-I118 HydrophobicContact CD2-CD1 4.2Å; L44-I118 HydrophobicContact CD2-CG1 4.2Å; L44-F192 HydrophobicContact CD1-CD1 4.12Å; L44-F192 HydrophobicContact CD1-CE1 3.85Å; L44-L195 HydrophobicContact CD1-CD1 3.58Å; L44-L195 HydrophobicContact CG-CD1 4.47Å
45V97.3Very high87.1Confident0 Ų045.2 Ų45.20%025%0.253CS..EExtended strand (participates in β ladder)trans-97.5128.4172.3-64.50000110.3W95 Y111 A114 C116 A117 I118 L139V45-W95 HydrophobicContact CG1-CB 4.18Å; V45-Y111 HydrophobicContact CB-CD1 4.49Å; V45-Y111 HydrophobicContact CG1-CD1 4.45Å; V45-Y111 HydrophobicContact CG2-CD1 4.48Å; V45-A114 HydrophobicContact CB-CB 4.43Å; V45-A114 HydrophobicContact CG1-CB 3.72Å; V45-A114 HydrophobicContact CG2-CB 3.84Å; V45-C116 PolarHBondContact N-O 2.79Å; V45-C116 VanDerWaalsContact N-O 3.08Å; V45-A117 HydrophobicContact CG2-CB 3.57Å; V45-A117 CarbonylContact O-C 3.49Å; V45-A117 VanDerWaalsContact O-CA 3.25Å; V45-A117 WeakPolarHBondContact O-CA 3.47Å; V45-I118 PolarHBondContact O-N 2.98Å; V45-L139 HydrophobicContact CG2-CD1 3.39Å
46L97.2Very high89.3Confident1 Ų137.1 Ų37.11%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-110.5109-179.6174.560.8000109.2L44 K54 F57 V58 V94 W95 T97 I118 M120L44-L46 HydrophobicContact CD2-CB 4.18Å; L46-K54 HydrophobicContact CD1-CB 4.44Å; L46-K54 HydrophobicContact CD1-CD 4.37Å; L46-K54 HydrophobicContact CD1-CG 4.17Å; L46-K54 HydrophobicContact CD2-CB 3.67Å; L46-K54 HydrophobicContact CD2-CG 4.3Å; L46-K54 HydrophobicContact CG-CB 3.86Å; L46-K54 HydrophobicContact CG-CD 4.02Å; L46-K54 HydrophobicContact CG-CG 3.98Å; L46-F57 HydrophobicContact CD2-CD1 4.39Å; L46-V58 HydrophobicContact CD2-CG2 3.29Å; L46-V94 HydrophobicContact CB-CG1 4.05Å; L46-V94 HydrophobicContact CD2-CG1 4.36Å; L46-W95 PolarHBondContact N-O 3.02Å; L46-T97 PolarHBondContact O-N 2.95Å; L46-T97 PolarHBondContact O-OG1 3.38Å; L46-I118 WeakPolarHBondContact CA-O 3.47Å; L46-I118 HydrophobicContact CD1-CB 3.73Å; L46-I118 HydrophobicContact CD1-CG2 3.61Å; L46-M120 HydrophobicContact CD1-CB 4.42Å; L46-M120 HydrophobicContact CD1-CE 4.04Å
47V95.7Very high91.1Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-124.7165.2-171.5-58.30000112.1K54 T97 Y111 I118 I119 M120 W135V47-K54 VanDerWaalsContact C-CD 3.43Å; V47-K54 WeakPolarHBondContact O-CD 3.41Å; V47-T97 HydrophobicContact CG1-CG2 4.27Å; V47-Y111 HydrophobicContact CG1-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CE1 3.57Å; V47-I118 PolarHBondContact N-O 2.95Å; V47-I119 HydrophobicContact CG2-CB 4.28Å; V47-I119 HydrophobicContact CG2-CG1 3.76Å; V47-I119 HydrophobicContact CG2-CG2 4.36Å; V47-I119 WeakPolarHBondContact O-CA 3.41Å; V47-M120 PolarHBondContact O-N 3.41Å; V47-W135 HydrophobicContact CB-CD2 4.47Å; V47-W135 HydrophobicContact CB-CE3 3.85Å; V47-W135 HydrophobicContact CB-CZ3 4.2Å; V47-W135 HydrophobicContact CG2-CB 4.35Å; V47-W135 HydrophobicContact CG2-CE3 4.38Å
48G95.3Very high92.8Very high0 Ų027.3 Ų27.30%015%0.154CC..  trans138.8168.2-178.300000111.8K54 G99 M120 W135G48-K54 PolarHBondContact O-NZ 3.37Å; G48-G99 WeakPolarHBondContact O-CA 3.35Å; G48-M120 WeakPolarHBondContact CA-O 3.36Å; G48-W135 VanDerWaalsContact C-CE2 3.44Å; G48-W135 VanDerWaalsContact C-CZ2 3.42Å; G48-W135 VanDerWaalsContact O-CZ2 3.31Å; G48-W135 WeakPolarHBondContact O-CZ2 3.42Å
49D94.2Very high94.1Very high24 Ų2428.9 Ų28.913%0.12816%0.157CC..  trans-55.8158.1-176.7-78.916.8000113.1T52 K54 T128 N131 W135D49-T52 HydrophobicContact CB-CG2 3.85Å; D49-T52 VanDerWaalsContact O-CG2 3.31Å; D49-T52 WeakPolarHBondContact O-CG2 3.47Å; D49-T52 PolarHBondContact O-OG1 3Å; D49-K54 PolarHBondContact O-NZ 3.4Å; D49-K54 VanDerWaalsContact O-NZ 3.08Å; D49-T128 HydrophobicContact CB-CG2 3.84Å; D49-T128 WeakPolarHBondContact OD2-CA 3.49Å; D49-N131 WeakPolarHBondContact OD1-CB 3.3Å; D49-N131 PolarHBondContact OD2-ND2 3.5Å; D49-W135 PolarHBondContact OD1-NE1 3.38Å
50G92.4Very high94.6Very high19 Ų1919.7 Ų19.720%0.19611%0.114CC..THydrogen-bonded Turntrans-63.7141.8173.800000111.1T52 G99G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 2.92Å; G50-G99 VanDerWaalsContact N-C 3.31Å; G50-G99 PolarHBondContact N-O 3.41Å
51G92.2Very high94.3Very high27 Ų2717.8 Ų17.828%0.27810%0.102SC..THydrogen-bonded Turntrans78.42179.300000115.7G53 K154G51-G53 PolarHBondContact O-N 3.48Å; G51-K154 WeakPolarHBondContact O-CE 3.45Å; G51-K154 PolarHBondContact O-NZ 3.33Å
52T95.8Very high93.7Very high0 Ų017.3 Ų17.30%010%0.102CC..SBendtrans-70-18175.856.70000113.5D49 G50 D122 T128 N153D49-T52 HydrophobicContact CB-CG2 3.85Å; D49-T52 VanDerWaalsContact O-CG2 3.31Å; D49-T52 WeakPolarHBondContact O-CG2 3.47Å; D49-T52 PolarHBondContact O-OG1 3Å; G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 2.92Å; T52-D122 HydrophobicContact CG2-CB 4.28Å; T52-T128 HydrophobicContact CG2-CG2 3.88Å; T52-N153 PolarHBondContact O-ND2 3.22Å
53G95Very high92.9Very high13 Ų1320 Ų2013%0.13412%0.12CC..SBendtrans104.418.9175.400000115.4G51 T56 F57G51-G53 PolarHBondContact O-N 3.48Å; G53-T56 PolarHBondContact O-N 2.67Å; G53-F57 WeakPolarHBondContact O-CB 3.36Å; G53-F57 PolarHBondContact O-N 2.99Å
54K95.2Very high91.8Very high9 Ų918.8 Ų18.84%0.03912%0.115CC..Hα-helixtrans-53.4-57.6178.8-60.6-172.4-51-75.40113.1L46 V47 G48 D49 T56 F57 V58 D96 T97 M120L46-K54 HydrophobicContact CD1-CB 4.44Å; L46-K54 HydrophobicContact CD1-CD 4.37Å; L46-K54 HydrophobicContact CD1-CG 4.17Å; L46-K54 HydrophobicContact CD2-CB 3.67Å; L46-K54 HydrophobicContact CD2-CG 4.3Å; L46-K54 HydrophobicContact CG-CB 3.86Å; L46-K54 HydrophobicContact CG-CD 4.02Å; L46-K54 HydrophobicContact CG-CG 3.98Å; V47-K54 VanDerWaalsContact C-CD 3.43Å; V47-K54 WeakPolarHBondContact O-CD 3.41Å; G48-K54 PolarHBondContact O-NZ 3.37Å; D49-K54 PolarHBondContact O-NZ 3.4Å; D49-K54 VanDerWaalsContact O-NZ 3.08Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.34Å; K54-F57 WeakPolarHBondContact O-CB 3.49Å; K54-F57 PolarHBondContact O-N 2.87Å; K54-F57 VanDerWaalsContact O-N 3.08Å; K54-V58 PolarHBondContact O-N 3.48Å; K54-D96 VanDerWaalsContact CB-OD1 3.26Å; K54-D96 WeakPolarHBondContact CB-OD1 3.44Å; K54-T97 WeakPolarHBondContact CE-O 3.35Å; K54-M120 HydrophobicContact CG-CB 4.07Å; K54-M120 HydrophobicContact CG-SD 3.98Å
55T93.3Very high90.7Very high27 Ų2725.2 Ų25.217%0.16615%0.145CC..Hα-helixtrans-58.9-42.1178.2-46.20000112.4F57 V58 K59 T73 D96T55-F57 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.42Å; T55-V58 PolarHBondContact O-N 3.47Å; T55-K59 HydrophobicContact CG2-CD 4.12Å; T55-K59 HydrophobicContact CG2-CG 4.26Å; T55-K59 WeakPolarHBondContact O-CB 3.36Å; T55-K59 WeakPolarHBondContact O-CG 3.14Å; T55-K59 PolarHBondContact O-N 3.15Å; T55-T73 PolarHBondContact OG1-OG1 2.74Å; T55-D96 WeakPolarHBondContact CA-OD2 3.37Å; T55-D96 WeakPolarHBondContact CB-OD2 3.42Å; T55-D96 WeakPolarHBondContact CG2-OD2 3.21Å; T55-D96 PolarHBondContact OG1-OD2 2.88Å
56T93.6Very high89.7Confident28 Ų2827.6 Ų27.617%0.17216%0.155CC..Hα-helixtrans-62.8-40.7176-50.70000111.7G53 K54 R60 F66 A182G53-T56 PolarHBondContact O-N 2.67Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.34Å; T56-R60 WeakPolarHBondContact O-CB 3.48Å; T56-R60 PolarHBondContact O-N 3.47Å; T56-F66 HydrophobicContact CG2-CD2 3.48Å; T56-F66 VanDerWaalsContact CG2-CD2 3.48Å; T56-F66 HydrophobicContact CG2-CE2 3.39Å; T56-F66 HydrophobicContact CG2-CG 4.4Å; T56-F66 HydrophobicContact CG2-CZ 4.23Å; T56-A182 HydrophobicContact CG2-CB 4.23Å
57F94.1Very high88.8Confident1 Ų131.1 Ų31.10%0.00417%0.172CC..Hα-helixtrans-63.7-38.9176.1177.2-95.6000112.2L46 G53 K54 T55 H61 I118 M120 I180 A182 F188 P191 F192L46-F57 HydrophobicContact CD2-CD1 4.39Å; G53-F57 WeakPolarHBondContact O-CB 3.36Å; G53-F57 PolarHBondContact O-N 2.99Å; K54-F57 WeakPolarHBondContact O-CB 3.49Å; K54-F57 PolarHBondContact O-N 2.87Å; K54-F57 VanDerWaalsContact O-N 3.08Å; T55-F57 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.42Å; F57-H61 AromaticContact CE2-CE1 3.74Å; F57-H61 AromaticContact CZ-CE1 3.63Å; F57-H61 PolarHBondContact O-ND1 3.21Å; F57-I118 HydrophobicContact CE1-CD1 4.12Å; F57-M120 HydrophobicContact CB-CE 3.68Å; F57-M120 HydrophobicContact CD1-CE 3.88Å; F57-M120 HydrophobicContact CD2-CE 4.11Å; F57-M120 HydrophobicContact CG-CE 3.63Å; F57-I180 HydrophobicContact CD2-CD1 3.7Å; F57-I180 HydrophobicContact CE2-CD1 3.69Å; F57-A182 HydrophobicContact CB-CB 4.32Å; F57-F188 HydrophobicContact CB-CE2 4.43Å; F57-F188 AromaticContact CD2-CD2 3.67Å; F57-F188 HydrophobicContact CD2-CD2 3.67Å; F57-F188 AromaticContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CZ 4.1Å; F57-F188 AromaticContact CE2-CD2 3.62Å; F57-F188 HydrophobicContact CE2-CD2 3.62Å; F57-F188 AromaticContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CG 4.41Å; F57-F188 HydrophobicContact CE2-CZ 4.46Å; F57-F188 HydrophobicContact CG-CE2 4.03Å; F57-F188 WeakPolarHBondContact O-CZ 3.35Å; F57-P191 HydrophobicContact CZ-CG 4.36Å; F57-F192 AromaticContact CE1-CE2 3.42Å; F57-F192 HydrophobicContact CE1-CE2 3.42Å; F57-F192 VanDerWaalsContact CE1-CE2 3.42Å; F57-F192 AromaticContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CZ-CD2 4.23Å; F57-F192 AromaticContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CE2 3.43Å; F57-F192 VanDerWaalsContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CZ 4.15Å
58V93.1Very high88Confident0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-73.6-53177.3177.40000111.7L46 K54 T55 R60 H61 L62 H79 V94 D96L46-V58 HydrophobicContact CD2-CG2 3.29Å; K54-V58 PolarHBondContact O-N 3.48Å; T55-V58 PolarHBondContact O-N 3.47Å; V58-R60 PolarHBondContact O-N 3.35Å; V58-H61 WeakPolarHBondContact O-CB 3.42Å; V58-H61 PolarHBondContact O-N 3.35Å; V58-L62 PolarHBondContact O-N 3.04Å; V58-L62 VanDerWaalsContact O-N 3.08Å; V58-H79 HydrophobicContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CG 3.46Å; V58-V94 HydrophobicContact CG1-CG1 4.43Å; V58-V94 HydrophobicContact CG2-CG1 3.66Å; V58-D96 HydrophobicContact CG2-CB 4.41Å
59K89.8Confident87.4Confident64 Ų6446.3 Ų46.328%0.27824%0.238SC..Hα-helixtrans-56.3-38.2-179.4-76-171.5175-173.30111.8T55 H61 L62 T63 E67T55-K59 HydrophobicContact CG2-CD 4.12Å; T55-K59 HydrophobicContact CG2-CG 4.26Å; T55-K59 WeakPolarHBondContact O-CB 3.36Å; T55-K59 WeakPolarHBondContact O-CG 3.14Å; T55-K59 PolarHBondContact O-N 3.15Å; K59-H61 VanDerWaalsContact C-N 3.32Å; K59-H61 PolarHBondContact O-N 3.2Å; K59-L62 PolarHBondContact O-N 3.06Å; K59-T63 PolarHBondContact O-N 3.01Å; K59-T63 PolarHBondContact O-OG1 3.35Å; K59-E67 IonicContact NZ-OE2 2.78Å
60R87.8Confident86.8Confident2 Ų251.7 Ų51.71%0.00826%0.257CS..Hα-helixtrans-70.5-26.2179.2-176.7169.1-164.4136.621.7113.7T56 V58 G64 A182 K183 N185 F188 L213 P215 P216T56-R60 WeakPolarHBondContact O-CB 3.48Å; T56-R60 PolarHBondContact O-N 3.47Å; V58-R60 PolarHBondContact O-N 3.35Å; R60-G64 WeakPolarHBondContact O-CA 3.38Å; R60-G64 PolarHBondContact O-N 2.84Å; R60-A182 WeakPolarHBondContact CD-O 3.45Å; R60-A182 PolarHBondContact NE-O 2.9Å; R60-A182 PolarHBondContact NH1-O 3.34Å; R60-K183 VanDerWaalsContact NH1-C 3.33Å; R60-K183 PolarHBondContact NH1-O 3.28Å; R60-N185 WeakPolarHBondContact CD-OD1 3.4Å; R60-N185 PolarHBondContact NE-OD1 3.49Å; R60-F188 HydrophobicContact CB-CE1 4.15Å; R60-F188 HydrophobicContact CB-CZ 3.63Å; R60-F188 HydrophobicContact CG-CE1 3.88Å; R60-F188 HydrophobicContact CG-CZ 3.7Å; R60-L213 WeakPolarHBondContact O-CD2 3.18Å; R60-P215 PolarHBondContact NH2-O 2.85Å; R60-P215 VanDerWaalsContact NH2-O 3.07Å; R60-P216 VanDerWaalsContact NH2-CA 3.3Å
61H86.8Confident86.4Confident17 Ų1756.1 Ų56.18%0.07928%0.28CS..Hα-helixtrans-73.9-29.7166.5-78.291.4000112.8F57 V58 K59 L81 F83 F188 F192F57-H61 AromaticContact CE2-CE1 3.74Å; F57-H61 AromaticContact CZ-CE1 3.63Å; F57-H61 PolarHBondContact O-ND1 3.21Å; V58-H61 WeakPolarHBondContact O-CB 3.42Å; V58-H61 PolarHBondContact O-N 3.35Å; K59-H61 VanDerWaalsContact C-N 3.32Å; K59-H61 PolarHBondContact O-N 3.2Å; H61-L81 HydrophobicContact CB-CD1 3.64Å; H61-L81 HydrophobicContact CB-CD2 3.86Å; H61-L81 HydrophobicContact CB-CG 4.37Å; H61-F83 AromaticContact CD2-CE1 3.97Å; H61-F83 AromaticContact CD2-CZ 3.73Å; H61-F188 HydrophobicContact CB-CE1 4.31Å; H61-F188 AromaticContact CD2-CD1 3.83Å; H61-F188 AromaticContact CD2-CE1 3.68Å; H61-F188 AromaticContact CE1-CD1 3.07Å; H61-F188 WeakPolarHBondContact CE1-CD1 3.33Å; H61-F188 AromaticContact CE1-CD2 3.76Å; H61-F188 AromaticContact CE1-CE1 2.95Å; H61-F188 WeakPolarHBondContact CE1-CE1 3.26Å; H61-F188 AromaticContact CE1-CE2 3.64Å; H61-F188 AromaticContact CE1-CG 3.47Å; H61-F188 VanDerWaalsContact CE1-CG 3.47Å; H61-F188 WeakPolarHBondContact CE1-CG 3.31Å; H61-F188 AromaticContact CE1-CZ 3.21Å; H61-F188 WeakPolarHBondContact CE1-CZ 3.19Å; H61-F188 PolarHBondContact CE1-O 3.08Å; H61-F188 AromaticContact CG-CE1 3.44Å; H61-F188 VanDerWaalsContact CG-CE1 3.44Å; H61-F188 AromaticContact CG-CZ 3.94Å; H61-F188 AromaticContact ND1-CD1 3.66Å; H61-F188 AromaticContact ND1-CE1 3Å; H61-F188 WeakPolarHBondContact ND1-CE1 3.49Å; H61-F188 AromaticContact ND1-CE2 3.88Å; H61-F188 AromaticContact ND1-CZ 3.09Å; H61-F188 WeakPolarHBondContact ND1-CZ 3.36Å; H61-F188 AromaticContact NE2-CD1 3.21Å; H61-F188 WeakPolarHBondContact NE2-CD1 3.49Å; H61-F188 AromaticContact NE2-CE1 3.41Å; H61-F188 WeakPolarHBondContact NE2-CE1 3.43Å; H61-F188 AromaticContact NE2-CG 3.81Å; H61-F188 PolarHBondContact NE2-O 3.23Å; H61-F192 AromaticContact CD2-CE2 3.96Å; H61-F192 AromaticContact CE1-CD2 4Å; H61-F192 AromaticContact CE1-CE2 3.35Å; H61-F192 WeakPolarHBondContact CE1-CE2 3.22Å; H61-F192 AromaticContact ND1-CE2 3.77Å; H61-F192 AromaticContact NE2-CD2 3.68Å; H61-F192 AromaticContact NE2-CE2 3.45Å; H61-F192 WeakPolarHBondContact NE2-CE2 3.46Å
62L84.7Confident86Confident83 Ų8356.8 Ų56.844%0.43528%0.283SS..Hα-helixtrans-82.3-51.2-175.2-174.167000112.9V58 K59 L81V58-L62 PolarHBondContact O-N 3.04Å; V58-L62 VanDerWaalsContact O-N 3.08Å; K59-L62 PolarHBondContact O-N 3.06Å; L62-L81 HydrophobicContact CB-CD2 3.96Å; L62-L81 HydrophobicContact CD1-CD2 4.09Å
63T80.4Confident85.3Confident78 Ų7857.6 Ų57.648%0.47929%0.288SS..THydrogen-bonded Turntrans-113.9-9.2-173.465.80000113K59 E65K59-T63 PolarHBondContact O-N 3.01Å; K59-T63 PolarHBondContact O-OG1 3.35Å; T63-E65 PolarHBondContact O-N 2.94Å; T63-E65 WeakPolarHBondContact OG1-CB 3.43Å; T63-E65 PolarHBondContact OG1-N 2.86Å
64G75.3Confident84.7Confident0 Ų064.7 Ų64.70%032%0.322CS..SBendtrans77-15.9-170.500000114R60 A214R60-G64 WeakPolarHBondContact O-CA 3.38Å; R60-G64 PolarHBondContact O-N 2.84Å; G64-A214 WeakPolarHBondContact O-CB 3.39Å
65E75.6Confident84.2Confident136 Ų13665 Ų6564%0.63633%0.328SS*.  trans-76.7144.8-172.8-62.2-176.4162.500112.7T63T63-E65 PolarHBondContact O-N 2.94Å; T63-E65 WeakPolarHBondContact OG1-CB 3.43Å; T63-E65 PolarHBondContact OG1-N 2.86Å
66F76.5Confident84Confident50 Ų5065.7 Ų65.722%0.21933%0.332CS..  trans-97.6114.7171.6-174.8-98.2000110.7T56 K68 A182 K183 E217T56-F66 HydrophobicContact CG2-CD2 3.48Å; T56-F66 VanDerWaalsContact CG2-CD2 3.48Å; T56-F66 HydrophobicContact CG2-CE2 3.39Å; T56-F66 HydrophobicContact CG2-CG 4.4Å; T56-F66 HydrophobicContact CG2-CZ 4.23Å; F66-K68 HydrophobicContact CD1-CG 3.82Å; F66-K68 HydrophobicContact CE1-CG 3.98Å; F66-K68 PolarHBondContact O-N 2.85Å; F66-A182 WeakPolarHBondContact CD2-O 3.43Å; F66-K183 HydrophobicContact CD2-CB 4.41Å; F66-K183 HydrophobicContact CD2-CG 4.33Å; F66-K183 HydrophobicContact CE1-CD 4.37Å; F66-K183 HydrophobicContact CE1-CG 4.17Å; F66-K183 HydrophobicContact CE2-CB 3.72Å; F66-K183 HydrophobicContact CE2-CG 3.78Å; F66-K183 HydrophobicContact CZ-CB 4Å; F66-K183 HydrophobicContact CZ-CD 3.98Å; F66-K183 HydrophobicContact CZ-CG 3.69Å; F66-E217 HydrophobicContact CB-CG 3.79Å; F66-E217 HydrophobicContact CD1-CG 4.05Å; F66-E217 VanDerWaalsContact CD1-OE1 3.27Å; F66-E217 WeakPolarHBondContact CD1-OE1 3.25Å; F66-E217 WeakPolarHBondContact CD1-OE2 3.33Å; F66-E217 HydrophobicContact CG-CG 4.02Å
67E78.1Confident83.9Confident76 Ų7668.1 Ų68.136%0.35534%0.342SS..  trans-78.8110174.7-175.267.2-113.100110.3K59 K69K59-E67 IonicContact NZ-OE2 2.78Å; E67-K69 WeakPolarHBondContact CG-O 3.32Å
68K78.8Confident83.9Confident156 Ų15671.4 Ų71.468%0.67836%0.361SS*.  trans-78.1-27.6178.4-66.2-177.5-176.41770113.1F66 E217F66-K68 HydrophobicContact CD1-CG 3.82Å; F66-K68 HydrophobicContact CE1-CG 3.98Å; F66-K68 PolarHBondContact O-N 2.85Å; K68-E217 VanDerWaalsContact CE-CD 3.45Å; K68-E217 WeakPolarHBondContact CE-OE1 3.39Å; K68-E217 WeakPolarHBondContact CE-OE2 3.21Å; K68-E217 IonicContact NZ-OE1 2.7Å
69K83.1Confident84Confident162 Ų16272.5 Ų72.570%0.70437%0.367SS*.SBendtrans-89.3124.9-176.1-69.4-178.7-179.6177.10109.5E67 V71E67-K69 WeakPolarHBondContact CG-O 3.32Å; K69-V71 PolarHBondContact O-N 2.97Å; K69-V71 VanDerWaalsContact O-N 3.15Å
70Y82Confident84.2Confident137 Ų13772.6 Ų72.654%0.53737%0.374SS..  trans-74.3108.4169.5178.6-107.3000109.5A72 Q100Y70-A72 HydrophobicContact CE1-CB 4.11Å; Y70-Q100 PolarHBondContact OH-NE2 3.05Å
71V82.6Confident84.5Confident112 Ų11272.8 Ų72.868%0.67938%0.375SS*.  trans-111.1120.9164.2-1770000106.2K69 T73K69-V71 PolarHBondContact O-N 2.97Å; K69-V71 VanDerWaalsContact O-N 3.15Å; V71-T73 PolarHBondContact O-N 2.81Å
72A84.1Confident84.8Confident41 Ų4174.8 Ų74.834%0.33939%0.388SS..  trans-67129.5179.300000109.8Y70Y70-A72 HydrophobicContact CE1-CB 4.11Å
73T81.4Confident85.2Confident17 Ų1771 Ų7110%0.10437%0.368CS..  trans-57.8139.2170.2-41.40000109.6T55 V71 E77 A98T55-T73 PolarHBondContact OG1-OG1 2.74Å; V71-T73 PolarHBondContact O-N 2.81Å; T73-E77 HydrophobicContact CG2-CG 4.17Å; T73-A98 WeakPolarHBondContact O-CB 3.34Å
74L83.7Confident85.8Confident162 Ų16272.2 Ų72.285%0.84837%0.368SS*.  trans-104.5106.8173.8-63.1178.3000108.5V76L74-V76 PolarHBondContact O-N 3.46Å
75G83.4Confident86.8Confident17 Ų1772.6 Ų72.618%0.17537%0.37CS..SBendtrans70.6-110.5-17600000112A98G75-A98 PolarHBondContact O-N 3.27Å
76V89.1Confident87.7Confident40 Ų4068.8 Ų68.824%0.24236%0.355CS..EExtended strand (participates in β ladder)trans-137.7139.4-177.166.80000111.9L74 W95 D96 T97 Y110L74-V76 PolarHBondContact O-N 3.46Å; V76-W95 HydrophobicContact CG1-CE3 4.37Å; V76-W95 HydrophobicContact CG1-CZ3 4.49Å; V76-W95 HydrophobicContact CG2-CB 3.89Å; V76-W95 HydrophobicContact CG2-CD2 4.35Å; V76-W95 HydrophobicContact CG2-CE3 3.87Å; V76-W95 HydrophobicContact CG2-CG 4.42Å; V76-D96 WeakPolarHBondContact CA-O 3.43Å; V76-T97 HydrophobicContact CG2-CG2 4.37Å; V76-Y110 HydrophobicContact CB-CD1 4.15Å; V76-Y110 HydrophobicContact CB-CD2 4.43Å; V76-Y110 HydrophobicContact CB-CE1 4.04Å; V76-Y110 HydrophobicContact CB-CE2 4.33Å; V76-Y110 HydrophobicContact CB-CG 4.35Å; V76-Y110 HydrophobicContact CG1-CD1 3.71Å; V76-Y110 HydrophobicContact CG1-CE1 3.43Å; V76-Y110 VanDerWaalsContact CG1-CE1 3.43Å; V76-Y110 HydrophobicContact CG1-CG 4.41Å
77E91.4Very high88.5Confident80 Ų8073 Ų7337%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-114.7137.3165.7-65.9-177.5-175.500109.7T73 H79 D96T73-E77 HydrophobicContact CG2-CG 4.17Å; E77-H79 VanDerWaalsContact CB-NE2 3.33Å; E77-H79 WeakPolarHBondContact CB-NE2 3.27Å; E77-H79 IonicContact OE2-CE1 2.81Å; E77-H79 PolarHBondContact OE2-CE1 3.34Å; E77-H79 IonicContact OE2-NE2 3.05Å; E77-H79 PolarHBondContact OE2-NE2 3.05Å; E77-D96 PolarHBondContact N-O 3.39Å; E77-D96 PolarHBondContact O-N 2.79Å
78V94.4Very high89.3Confident69 Ų6971.3 Ų71.342%0.41837%0.371SS..EExtended strand (participates in β ladder)trans-107.3121.6179.8-175.20000109.9N93 V94 W95V78-N93 HydrophobicContact CG1-CB 4.32Å; V78-V94 CarbonylContact C-O 3.6Å; V78-V94 WeakPolarHBondContact CA-O 3.48Å; V78-W95 HydrophobicContact CG2-CD2 3.85Å; V78-W95 HydrophobicContact CG2-CE3 4.39Å; V78-W95 HydrophobicContact CG2-CG 4.03Å; V78-W95 HydrophobicContact CG2-CZ2 4.27Å
79H94.5Very high90Very high24 Ų2465.4 Ų65.411%0.11135%0.352CS..EExtended strand (participates in β ladder)trans-121116.3-176.1-63.9-85.2000110.3V58 E77 L81 V94V58-H79 HydrophobicContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CG 3.46Å; E77-H79 VanDerWaalsContact CB-NE2 3.33Å; E77-H79 WeakPolarHBondContact CB-NE2 3.27Å; E77-H79 IonicContact OE2-CE1 2.81Å; E77-H79 PolarHBondContact OE2-CE1 3.34Å; E77-H79 IonicContact OE2-NE2 3.05Å; E77-H79 PolarHBondContact OE2-NE2 3.05Å; H79-L81 PolarHBondContact O-N 3.47Å; H79-V94 PolarHBondContact N-O 3.03Å; H79-V94 PolarHBondContact O-N 3.05Å
80P94.6Very high90.6Very high66 Ų6658 Ų5843%0.42932%0.32SS..EExtended strand (participates in β ladder)trans-77.5116.9174.830.2-31.9000110.3K91P80-K91 HydrophobicContact CB-CD 4.24Å; P80-K91 HydrophobicContact CB-CG 4.42Å
81L93.6Very high91.3Very high6 Ų652.1 Ų52.13%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-111122.8174.8-58.9-175.5000110H61 L62 H79 F83 K91 Y92 V94 F192H61-L81 HydrophobicContact CB-CD1 3.64Å; H61-L81 HydrophobicContact CB-CD2 3.86Å; H61-L81 HydrophobicContact CB-CG 4.37Å; L62-L81 HydrophobicContact CB-CD2 3.96Å; L62-L81 HydrophobicContact CD1-CD2 4.09Å; H79-L81 PolarHBondContact O-N 3.47Å; L81-F83 HydrophobicContact CB-CE2 3.78Å; L81-F83 HydrophobicContact CB-CZ 4.48Å; L81-K91 CarbonylContact O-C 3.58Å; L81-K91 WeakPolarHBondContact O-CA 3.37Å; L81-Y92 PolarHBondContact N-O 3.48Å; L81-Y92 PolarHBondContact O-N 3.23Å; L81-V94 HydrophobicContact CD1-CG2 3.73Å; L81-V94 HydrophobicContact CG-CG2 4.03Å; L81-F192 HydrophobicContact CD1-CE1 4.03Å; L81-F192 HydrophobicContact CD1-CZ 3.76Å
82V93.3Very high92Very high59 Ų5946.8 Ų46.836%0.35827%0.265SS..EExtended strand (participates in β ladder)trans-106125.1-179.2-177.40000110.2P38 A89 I90 K91P38-V82 HydrophobicContact CG-CG1 4.22Å; P38-V82 HydrophobicContact CG-CG2 4.28Å; V82-A89 HydrophobicContact CG1-CB 4.1Å; V82-I90 WeakPolarHBondContact CA-O 3.19Å; V82-K91 HydrophobicContact CG2-CB 4.35Å; V82-K91 HydrophobicContact CG2-CG 4.15Å
83F93.2Very high92.7Very high3 Ų346.6 Ų46.61%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-114.4129.5175.5-64.2-94.6000109.7H61 L81 A89 I90 Y92 F192 F207 P211H61-F83 AromaticContact CD2-CE1 3.97Å; H61-F83 AromaticContact CD2-CZ 3.73Å; L81-F83 HydrophobicContact CB-CE2 3.78Å; L81-F83 HydrophobicContact CB-CZ 4.48Å; F83-A89 WeakPolarHBondContact O-CA 3.47Å; F83-I90 PolarHBondContact N-O 3.42Å; F83-I90 PolarHBondContact O-N 2.8Å; F83-Y92 AromaticContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CE2 4.08Å; F83-Y92 AromaticContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CE2 4.37Å; F83-F192 HydrophobicContact CE1-CB 4.07Å; F83-F192 HydrophobicContact CE1-CD2 4.19Å; F83-F192 HydrophobicContact CE1-CG 4.1Å; F83-F192 HydrophobicContact CE2-CB 4.11Å; F83-F192 AromaticContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD2 4.33Å; F83-F192 HydrophobicContact CE2-CE1 4.02Å; F83-F192 AromaticContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CZ-CB 3.81Å; F83-F192 AromaticContact CZ-CD1 3.71Å; F83-F192 HydrophobicContact CZ-CD1 3.71Å; F83-F192 AromaticContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CE1 4.12Å; F83-F192 HydrophobicContact CZ-CE2 4.01Å; F83-F192 AromaticContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CG 3.41Å; F83-F192 VanDerWaalsContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CZ 4.25Å; F83-F207 HydrophobicContact CB-CD1 4.23Å; F83-F207 HydrophobicContact CB-CE1 3.76Å; F83-F207 HydrophobicContact CB-CZ 3.91Å; F83-F207 HydrophobicContact CD1-CD2 4.03Å; F83-F207 HydrophobicContact CD1-CE1 4.25Å; F83-F207 AromaticContact CD1-CE2 3.47Å; F83-F207 HydrophobicContact CD1-CE2 3.47Å; F83-F207 VanDerWaalsContact CD1-CE2 3.47Å; F83-F207 AromaticContact CD1-CZ 3.59Å; F83-F207 HydrophobicContact CD1-CZ 3.59Å; F83-F207 AromaticContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CZ 4.28Å; F83-F207 HydrophobicContact CG-CE1 4.21Å; F83-F207 HydrophobicContact CG-CE2 4.19Å; F83-F207 AromaticContact CG-CZ 3.83Å; F83-F207 HydrophobicContact CG-CZ 3.83Å; F83-P211 HydrophobicContact CD1-CG 3.94Å; F83-P211 HydrophobicContact CE1-CG 3.78Å
84H93.3Very high93.4Very high103 Ų10345.9 Ų45.948%0.47725%0.253SS..EExtended strand (participates in β ladder)trans-91.9122.1177.7-67.585000109.7F207 V208 A209H84-F207 WeakPolarHBondContact O-CA 3.44Å; H84-V208 HydrophobicContact CB-CG2 4.03Å; H84-V208 WeakPolarHBondContact O-CG2 3.35Å; H84-V208 PolarHBondContact O-N 3.04Å; H84-A209 HydrophobicContact CB-CB 4.42Å
85T95.3Very high94Very high8 Ų841.2 Ų41.25%0.04923%0.225CC..EExtended strand (participates in β ladder)trans-117.5167.9-175.8830000111.5R87 G88 I90 L205 E206 F207T85-R87 PolarHBondContact O-N 3.34Å; T85-R87 WeakPolarHBondContact OG1-CA 3.12Å; T85-R87 PolarHBondContact OG1-N 2.69Å; T85-G88 WeakPolarHBondContact CB-O 3.36Å; T85-G88 WeakPolarHBondContact CG2-O 3.34Å; T85-G88 PolarHBondContact N-O 3.47Å; T85-G88 PolarHBondContact O-N 3.41Å; T85-G88 VanDerWaalsContact O-N 3.1Å; T85-G88 PolarHBondContact OG1-N 3.26Å; T85-G88 PolarHBondContact OG1-O 2.95Å; T85-I90 HydrophobicContact CG2-CD1 3.86Å; T85-I90 HydrophobicContact CG2-CG1 4.08Å; T85-L205 HydrophobicContact CG2-CD1 4.48Å; T85-L205 HydrophobicContact CG2-CD2 3.92Å; T85-L205 HydrophobicContact CG2-CG 4.37Å; T85-E206 CarbonylContact C-O 3.52Å; T85-E206 WeakPolarHBondContact CA-O 2.93Å; T85-E206 WeakPolarHBondContact CB-O 3.26Å; T85-F207 HydrophobicContact CG2-CD1 3.85Å; T85-F207 HydrophobicContact CG2-CE1 3.98Å
86N94.9Very high94.5Very high57 Ų5740.4 Ų40.431%0.30522%0.216SC..THydrogen-bonded Turntrans-674.6168.765.6-15.8000113.9N204 L205 E206 V208N86-N204 PolarHBondContact ND2-O 3.18Å; N86-L205 WeakPolarHBondContact OD1-CA 3.42Å; N86-E206 PolarHBondContact N-O 3.11Å; N86-E206 PolarHBondContact OD1-N 3.09Å; N86-E206 PolarHBondContact OD1-O 3.17Å; N86-V208 HydrophobicContact CB-CG1 3.89Å
87R94.6Very high94.6Very high139 Ų13938.6 Ų38.653%0.52521%0.205SC..THydrogen-bonded Turntrans-121.810.2173.3-57.6-63.4178.5-98.2-7.2113.1T85 D202 L205T85-R87 PolarHBondContact O-N 3.34Å; T85-R87 WeakPolarHBondContact OG1-CA 3.12Å; T85-R87 PolarHBondContact OG1-N 2.69Å; R87-D202 IonicContact CZ-OD2 3.23Å; R87-D202 IonicContact NE-OD2 3.63Å; R87-D202 PolarHBondContact NE-OD2 2.93Å; R87-D202 IonicContact NH2-OD2 2.73Å; R87-D202 PolarHBondContact NH2-OD2 3.27Å; R87-L205 HydrophobicContact CG-CD1 4.47Å
88G93.7Very high94.3Very high39 Ų3935.1 Ų35.140%0.40219%0.19SC..EExtended strand (participates in β ladder)trans103.5-176.3-174.800000113.1T85T85-G88 WeakPolarHBondContact CB-O 3.36Å; T85-G88 WeakPolarHBondContact CG2-O 3.34Å; T85-G88 PolarHBondContact N-O 3.47Å; T85-G88 PolarHBondContact O-N 3.41Å; T85-G88 VanDerWaalsContact O-N 3.1Å; T85-G88 PolarHBondContact OG1-N 3.26Å; T85-G88 PolarHBondContact OG1-O 2.95Å
89A94.4Very high93.3Very high32 Ų3232.4 Ų32.426%0.26418%0.176SC..EExtended strand (participates in β ladder)trans-79.4136.5-177.800000111.7P38 V82 F83P38-A89 HydrophobicContact CB-CB 4.19Å; P38-A89 HydrophobicContact CG-CB 4.34Å; V82-A89 HydrophobicContact CG1-CB 4.1Å; F83-A89 WeakPolarHBondContact O-CA 3.47Å
90I95.6Very high92.2Very high6 Ų636.2 Ų36.23%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-117.1129.7172.6-62.7178.5000108.2V40 F42 V82 F83 T85 Y92 A196 I200 L205V40-I90 HydrophobicContact CG1-CG1 4.49Å; F42-I90 HydrophobicContact CD2-CG2 3.72Å; F42-I90 HydrophobicContact CE2-CG2 3.8Å; V82-I90 WeakPolarHBondContact CA-O 3.19Å; F83-I90 PolarHBondContact N-O 3.42Å; F83-I90 PolarHBondContact O-N 2.8Å; T85-I90 HydrophobicContact CG2-CD1 3.86Å; T85-I90 HydrophobicContact CG2-CG1 4.08Å; I90-Y92 HydrophobicContact CG2-CD2 4.43Å; I90-Y92 HydrophobicContact CG2-CE2 3.96Å; I90-A196 HydrophobicContact CD1-CB 3.98Å; I90-I200 HydrophobicContact CD1-CD1 4.01Å; I90-I200 HydrophobicContact CD1-CG1 3.75Å; I90-L205 HydrophobicContact CD1-CD1 3.89Å
91K96.5Very high90.6Very high15 Ų1534.9 Ų34.97%0.06518%0.182CC..EExtended strand (participates in β ladder)trans-103.3125174.6-173.8-172.1-69.2175.10110.4E37 P38 V40 Q41 F42 P80 L81 V82E37-K91 IonicContact OE1-NZ 3.19Å; E37-K91 PolarHBondContact OE1-NZ 2.83Å; P38-K91 HydrophobicContact CB-CB 4.16Å; P38-K91 HydrophobicContact CG-CB 4.27Å; V40-K91 PolarHBondContact O-N 2.85Å; Q41-K91 CarbonylContact C-O 3.5Å; Q41-K91 WeakPolarHBondContact CA-O 3.01Å; Q41-K91 HydrophobicContact CB-CB 4.04Å; Q41-K91 HydrophobicContact CB-CD 4.49Å; F42-K91 PolarHBondContact N-O 3.41Å; P80-K91 HydrophobicContact CB-CD 4.24Å; P80-K91 HydrophobicContact CB-CG 4.42Å; L81-K91 CarbonylContact O-C 3.58Å; L81-K91 WeakPolarHBondContact O-CA 3.37Å; V82-K91 HydrophobicContact CG2-CB 4.35Å; V82-K91 HydrophobicContact CG2-CG 4.15Å
92Y97.8Very high88.8Confident0 Ų043.3 Ų43.30%022%0.218CC..EExtended strand (participates in β ladder)trans-97.8117.2163.9-68.9-76.4000109.1F42 L44 L81 F83 I90 V94 F192 L195 A196 L199F42-Y92 HydrophobicContact CB-CD1 3.9Å; F42-Y92 HydrophobicContact CB-CE1 3.98Å; F42-Y92 HydrophobicContact CD2-CE1 4.07Å; F42-Y92 HydrophobicContact CG-CE1 4.38Å; F42-Y92 WeakPolarHBondContact O-CA 3.37Å; L44-Y92 HydrophobicContact CB-CD1 4.05Å; L44-Y92 HydrophobicContact CD1-CD1 3.85Å; L44-Y92 HydrophobicContact CD1-CE1 4.32Å; L44-Y92 HydrophobicContact CD1-CG 4.24Å; L81-Y92 PolarHBondContact N-O 3.48Å; L81-Y92 PolarHBondContact O-N 3.23Å; F83-Y92 AromaticContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CE2 4.08Å; F83-Y92 AromaticContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CE2 4.37Å; I90-Y92 HydrophobicContact CG2-CD2 4.43Å; I90-Y92 HydrophobicContact CG2-CE2 3.96Å; Y92-V94 PolarHBondContact O-N 2.66Å; Y92-F192 AromaticContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CE1 4.32Å; Y92-F192 HydrophobicContact CE2-CB 4.29Å; Y92-F192 AromaticContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CG-CD1 4.14Å; Y92-F192 HydrophobicContact CG-CE1 4.44Å; Y92-F192 PolarHBondContact OH-O 2.97Å; Y92-L195 HydrophobicContact CE1-CB 4.46Å; Y92-A196 WeakPolarHBondContact OH-CA 3.44Å; Y92-A196 WeakPolarHBondContact OH-CB 3.37Å; Y92-A196 PolarHBondContact OH-N 2.9Å; Y92-L199 HydrophobicContact CE1-CD1 3.8Å
93N97.4Very high86.7Confident37 Ų3748.7 Ų48.720%0.19824%0.237CC..EExtended strand (participates in β ladder)trans-81.295.9164.4-65.6-52.2000106.4F42 L44 V78 W95F42-N93 PolarHBondContact O-N 2.83Å; L44-N93 PolarHBondContact N-O 3.3Å; V78-N93 HydrophobicContact CG1-CB 4.32Å; N93-W95 VanDerWaalsContact O-CD1 3.31Å
94V97.5Very high84.7Confident1 Ų150.9 Ų50.91%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-85116-175.6-178.30000109.9L44 L46 V58 V78 H79 L81 Y92 D96 F192L44-V94 HydrophobicContact CB-CG2 4.33Å; L44-V94 HydrophobicContact CD2-CB 4.48Å; L44-V94 HydrophobicContact CD2-CG1 3.86Å; L44-V94 HydrophobicContact CD2-CG2 4.21Å; L44-V94 CarbonylContact O-C 3.54Å; L44-V94 WeakPolarHBondContact O-CA 3.39Å; L46-V94 HydrophobicContact CB-CG1 4.05Å; L46-V94 HydrophobicContact CD2-CG1 4.36Å; V58-V94 HydrophobicContact CG1-CG1 4.43Å; V58-V94 HydrophobicContact CG2-CG1 3.66Å; V78-V94 CarbonylContact C-O 3.6Å; V78-V94 WeakPolarHBondContact CA-O 3.48Å; H79-V94 PolarHBondContact N-O 3.03Å; H79-V94 PolarHBondContact O-N 3.05Å; L81-V94 HydrophobicContact CD1-CG2 3.73Å; L81-V94 HydrophobicContact CG-CG2 4.03Å; Y92-V94 PolarHBondContact O-N 2.66Å; V94-D96 PolarHBondContact O-N 3.44Å; V94-F192 HydrophobicContact CG2-CE1 4.2Å
95W95.9Very high82.8Confident65 Ų6549.3 Ų49.325%0.24627%0.272CS..EExtended strand (participates in β ladder)trans-89.693.6173.9-7052.9000107.7K43 L44 V45 L46 V76 V78 N93 T97 Y110K43-W95 HydrophobicContact CD-CZ2 4.37Å; L44-W95 PolarHBondContact O-N 3.2Å; V45-W95 HydrophobicContact CG1-CB 4.18Å; L46-W95 PolarHBondContact N-O 3.02Å; V76-W95 HydrophobicContact CG1-CE3 4.37Å; V76-W95 HydrophobicContact CG1-CZ3 4.49Å; V76-W95 HydrophobicContact CG2-CB 3.89Å; V76-W95 HydrophobicContact CG2-CD2 4.35Å; V76-W95 HydrophobicContact CG2-CE3 3.87Å; V76-W95 HydrophobicContact CG2-CG 4.42Å; V78-W95 HydrophobicContact CG2-CD2 3.85Å; V78-W95 HydrophobicContact CG2-CE3 4.39Å; V78-W95 HydrophobicContact CG2-CG 4.03Å; V78-W95 HydrophobicContact CG2-CZ2 4.27Å; N93-W95 VanDerWaalsContact O-CD1 3.31Å; W95-T97 PolarHBondContact O-N 3.36Å; W95-Y110 HydrophobicContact CE3-CD1 4.36Å; W95-Y110 HydrophobicContact CZ3-CD1 4.14Å
96D94Very high80.9Confident0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-76.3105.3174.1-179.234.8000109.1K54 T55 V58 V76 E77 V94K54-D96 VanDerWaalsContact CB-OD1 3.26Å; K54-D96 WeakPolarHBondContact CB-OD1 3.44Å; T55-D96 WeakPolarHBondContact CA-OD2 3.37Å; T55-D96 WeakPolarHBondContact CB-OD2 3.42Å; T55-D96 WeakPolarHBondContact CG2-OD2 3.21Å; T55-D96 PolarHBondContact OG1-OD2 2.88Å; V58-D96 HydrophobicContact CG2-CB 4.41Å; V76-D96 WeakPolarHBondContact CA-O 3.43Å; E77-D96 PolarHBondContact N-O 3.39Å; E77-D96 PolarHBondContact O-N 2.79Å; V94-D96 PolarHBondContact O-N 3.44Å
97T90.3Very high79.7Confident2 Ų253.8 Ų53.81%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-92.5151.7-175.977.20000111.5L46 V47 K54 V76 W95 G99L46-T97 PolarHBondContact O-N 2.95Å; L46-T97 PolarHBondContact O-OG1 3.38Å; V47-T97 HydrophobicContact CG1-CG2 4.27Å; K54-T97 WeakPolarHBondContact CE-O 3.35Å; V76-T97 HydrophobicContact CG2-CG2 4.37Å; W95-T97 PolarHBondContact O-N 3.36Å; T97-G99 PolarHBondContact O-N 3.39Å
98A84.9Confident78.6Confident6 Ų649.7 Ų49.75%0.0528%0.281CS..  trans-68.1136.7173.200000110.7T73 G75 E101T73-A98 WeakPolarHBondContact O-CB 3.34Å; G75-A98 PolarHBondContact O-N 3.27Å; A98-E101 WeakPolarHBondContact CA-OE1 3.29Å; A98-E101 HydrophobicContact CB-CG 3.82Å; A98-E101 WeakPolarHBondContact CB-OE1 3.5Å; A98-E101 PolarHBondContact N-OE1 2.97Å; A98-E101 VanDerWaalsContact N-OE1 3.16Å; A98-E101 VanDerWaalsContact O-CG 3.28Å; A98-E101 WeakPolarHBondContact O-CG 3.33Å; A98-E101 VanDerWaalsContact O-OE1 3.05Å
99G74.3Confident78.2Confident12 Ų1249.9 Ų49.912%0.12428%0.283CS..SBendtrans-91.51.3179.900000114.1G48 G50 T97G48-G99 WeakPolarHBondContact O-CA 3.35Å; G50-G99 VanDerWaalsContact N-C 3.31Å; G50-G99 PolarHBondContact N-O 3.41Å; T97-G99 PolarHBondContact O-N 3.39Å
100Q70.4Confident77.9Confident105 Ų10550.5 Ų50.549%0.49128%0.279SS..  trans-106.8-2.2-170.7-68.9-68.2-12.400113.5Y70 K102Y70-Q100 PolarHBondContact OH-NE2 3.05Å; Q100-K102 PolarHBondContact O-N 3.18Å
101E62.3Low77.7Confident37 Ų3750.3 Ų50.317%0.17328%0.278CS..  trans-72.2104.9-166.6-12.4-162-165.400110.9A98 F103 R107A98-E101 WeakPolarHBondContact CA-OE1 3.29Å; A98-E101 HydrophobicContact CB-CG 3.82Å; A98-E101 WeakPolarHBondContact CB-OE1 3.5Å; A98-E101 PolarHBondContact N-OE1 2.97Å; A98-E101 VanDerWaalsContact N-OE1 3.16Å; A98-E101 VanDerWaalsContact O-CG 3.28Å; A98-E101 WeakPolarHBondContact O-CG 3.33Å; A98-E101 VanDerWaalsContact O-OE1 3.05Å; E101-F103 PolarHBondContact O-N 3.27Å; E101-F103 VanDerWaalsContact O-N 3.16Å; E101-R107 PolarHBondContact O-NE 2.97Å; E101-R107 PolarHBondContact O-NH2 3.18Å
102K56.1Low77.6Confident183 Ų18354 Ų5480%0.79630%0.297SS*.  trans-72.9-2.1-176.4-66.1-178.1178.5179.30113.8Q100Q100-K102 PolarHBondContact O-N 3.18Å
103F47.4Very low77.4Confident173 Ų17361.8 Ų61.876%0.75933%0.333SS*.  trans-127.7107.4-172.4-55.1-70.8000110.3E101 G105E101-F103 PolarHBondContact O-N 3.27Å; E101-F103 VanDerWaalsContact O-N 3.16Å; F103-G105 PolarHBondContact O-N 3.46Å; F103-G105 VanDerWaalsContact O-N 3.11Å
104G52.3Low77.4Confident48 Ų4860.3 Ų60.350%0.49533%0.327SS..THydrogen-bonded Turntrans-66.9-6.2-170.200000116.8
105G52.3Low77.5Confident70 Ų7064.1 Ų64.172%0.72235%0.345SS*.THydrogen-bonded Turntrans-76.4-33.7-171.600000116.2F103F103-G105 PolarHBondContact O-N 3.46Å; F103-G105 VanDerWaalsContact O-N 3.11Å
106L57.1Low77.6Confident129 Ų12961 Ų6168%0.67533%0.333SS*.THydrogen-bonded Turntrans-81.7-18.3179-77.9163.7000113
107R68.3Low77.8Confident30 Ų3061 Ų6111%0.11333%0.333CS..Hα-helixtrans-72.3-37.8-174.4-70.1-179.5171.5-173.7-5.1113.2E101 G109 Y110 W135E101-R107 PolarHBondContact O-NE 2.97Å; E101-R107 PolarHBondContact O-NH2 3.18Å; R107-G109 PolarHBondContact O-N 3.29Å; R107-Y110 WeakPolarHBondContact O-CB 3.42Å; R107-Y110 PolarHBondContact O-N 3.42Å; R107-W135 VanDerWaalsContact NH2-CH2 3.29Å
108D73.1Confident78.2Confident54 Ų5461 Ų6129%0.28933%0.333SS..Hα-helixtrans-61.5-35.4-177.7-68.3-1.7000111.5Y110 Y111 I112 V142D108-Y110 PolarHBondContact O-N 3.05Å; D108-Y111 PolarHBondContact O-N 3.49Å; D108-Y111 VanDerWaalsContact O-N 3.07Å; D108-I112 PolarHBondContact O-N 3.24Å; D108-V142 HydrophobicContact CB-CG2 3.94Å
109G84.3Confident78.8Confident42 Ų4260.7 Ų60.743%0.43333%0.33SS..Hα-helixtrans-60.6-32176.100000113.4R107 Y111R107-G109 PolarHBondContact O-N 3.29Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-Y111 PolarHBondContact O-N 3.08Å
110Y88.6Confident80Confident46 Ų4660.2 Ų60.218%0.1832%0.324CS..Hα-helixtrans-72.2-26.7177.1-56.8-37.6000112.4K43 V76 W95 R107 D108K43-Y110 WeakPolarHBondContact CE-O 3.17Å; K43-Y110 PolarHBondContact NZ-O 3.41Å; V76-Y110 HydrophobicContact CB-CD1 4.15Å; V76-Y110 HydrophobicContact CB-CD2 4.43Å; V76-Y110 HydrophobicContact CB-CE1 4.04Å; V76-Y110 HydrophobicContact CB-CE2 4.33Å; V76-Y110 HydrophobicContact CB-CG 4.35Å; V76-Y110 HydrophobicContact CG1-CD1 3.71Å; V76-Y110 HydrophobicContact CG1-CE1 3.43Å; V76-Y110 VanDerWaalsContact CG1-CE1 3.43Å; V76-Y110 HydrophobicContact CG1-CG 4.41Å; W95-Y110 HydrophobicContact CE3-CD1 4.36Å; W95-Y110 HydrophobicContact CZ3-CD1 4.14Å; R107-Y110 WeakPolarHBondContact O-CB 3.42Å; R107-Y110 PolarHBondContact O-N 3.42Å; D108-Y110 PolarHBondContact O-N 3.05Å
111Y91.7Very high81.3Confident1 Ų155.2 Ų55.20%0.00430%0.301CS..Hα-helixtrans-80-28-178.2-55-24.8000113.2V45 V47 D108 G109 Q113 A114 D138 L139 V142 C143V45-Y111 HydrophobicContact CB-CD1 4.49Å; V45-Y111 HydrophobicContact CG1-CD1 4.45Å; V45-Y111 HydrophobicContact CG2-CD1 4.48Å; V47-Y111 HydrophobicContact CG1-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CE1 3.57Å; D108-Y111 PolarHBondContact O-N 3.49Å; D108-Y111 VanDerWaalsContact O-N 3.07Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-Y111 PolarHBondContact O-N 3.08Å; Y111-Q113 PolarHBondContact O-N 3.47Å; Y111-A114 WeakPolarHBondContact O-CB 3.43Å; Y111-A114 PolarHBondContact O-N 2.66Å; Y111-D138 HydrophobicContact CE2-CB 4.29Å; Y111-L139 HydrophobicContact CD1-CD1 4.37Å; Y111-V142 HydrophobicContact CD2-CB 4.32Å; Y111-V142 HydrophobicContact CD2-CG2 4.01Å; Y111-C143 PolarHBondContact O-SG 2.97Å
112I92.9Very high83Confident93 Ų9354 Ų5448%0.47730%0.296SS..THydrogen-bonded Turntrans-45.4126.8-176.7-66.2172.8000111.4K43 D108 A114 V142K43-I112 PolarHBondContact NZ-O 3.05Å; D108-I112 PolarHBondContact O-N 3.24Å; I112-A114 PolarHBondContact O-N 3.33Å; I112-V142 HydrophobicContact CG1-CG1 4Å
113Q94.9Very high85.1Confident163 Ų16345.2 Ų45.276%0.76226%0.258SS*.THydrogen-bonded Turntrans61.719.5-179.2-59.8169.6-5.900115.1Y111 Q115Y111-Q113 PolarHBondContact O-N 3.47Å; Q113-Q115 PolarHBondContact O-N 3.27Å
114A97.6Very high87.5Confident7 Ų739 Ų396%0.05823%0.234CC..  trans-58.4136.5166.600000109.4V45 Y111 I112 I146V45-A114 HydrophobicContact CB-CB 4.43Å; V45-A114 HydrophobicContact CG1-CB 3.72Å; V45-A114 HydrophobicContact CG2-CB 3.84Å; Y111-A114 WeakPolarHBondContact O-CB 3.43Å; Y111-A114 PolarHBondContact O-N 2.66Å; I112-A114 PolarHBondContact O-N 3.33Å; A114-I146 HydrophobicContact CB-CD1 4.14Å; A114-I146 WeakPolarHBondContact O-CG2 3.4Å
115Q98.4Very high89.6Confident81 Ų8138.4 Ų38.438%0.37922%0.222SC..SBendtrans-102-20.7177.9-68.9161.2-7700111F42 K43 Q113 P147 L199F42-Q115 VanDerWaalsContact CA-OE1 3.26Å; F42-Q115 HydrophobicContact CB-CB 4.44Å; F42-Q115 HydrophobicContact CD1-CB 4.19Å; K43-Q115 PolarHBondContact O-N 3.07Å; Q113-Q115 PolarHBondContact O-N 3.27Å; Q115-P147 WeakPolarHBondContact O-CD 3.09Å; Q115-L199 HydrophobicContact CB-CD2 4.39Å; Q115-L199 WeakPolarHBondContact O-CD2 3.47Å
116C98.6Very high91.8Very high0 Ų043.6 Ų43.60%022%0.22CC..EExtended strand (participates in β ladder)trans-155.5165.4174.656.90000110.8K43 L44 V45 P147 L195 L199K43-C116 PolarHBondContact O-N 2.86Å; L44-C116 WeakPolarHBondContact CA-O 3.3Å; V45-C116 PolarHBondContact N-O 2.79Å; V45-C116 VanDerWaalsContact N-O 3.08Å; C116-P147 VanDerWaalsContact CA-O 3.31Å; C116-P147 WeakPolarHBondContact CA-O 3.21Å; C116-P147 HydrophobicContact CB-CG 4.02Å; C116-L195 HydrophobicContact CB-CD1 4.19Å; C116-L195 HydrophobicContact CB-CD2 3.75Å; C116-L195 HydrophobicContact CB-CG 4.44Å; C116-L199 HydrophobicContact CB-CD1 3.99Å; C116-L199 HydrophobicContact CB-CD2 4.41Å
117A98.4Very high93.6Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-142.3155.5176.700000113.7V45 L139 I146 P147 I148 V149V45-A117 HydrophobicContact CG2-CB 3.57Å; V45-A117 CarbonylContact O-C 3.49Å; V45-A117 VanDerWaalsContact O-CA 3.25Å; V45-A117 WeakPolarHBondContact O-CA 3.47Å; A117-L139 HydrophobicContact CB-CD1 3.72Å; A117-L139 HydrophobicContact CB-CD2 3.8Å; A117-L139 HydrophobicContact CB-CG 4.41Å; A117-I146 HydrophobicContact CB-CD1 4.14Å; A117-P147 PolarHBondContact N-O 2.96Å; A117-I148 HydrophobicContact CB-CG1 4.12Å; A117-I148 HydrophobicContact CB-CG2 4.3Å; A117-I148 WeakPolarHBondContact O-CA 3.18Å; A117-V149 PolarHBondContact O-N 2.89Å
118I98.6Very high95Very high1 Ų140.4 Ų40.41%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-119.6125.1163.9-63.8175.1000107.7L44 V45 L46 V47 F57 V149 C151 P191 F192 L195L44-I118 HydrophobicContact CD1-CD1 4.04Å; L44-I118 HydrophobicContact CD1-CG1 4.28Å; L44-I118 HydrophobicContact CD2-CB 4.49Å; L44-I118 HydrophobicContact CD2-CD1 4.2Å; L44-I118 HydrophobicContact CD2-CG1 4.2Å; V45-I118 PolarHBondContact O-N 2.98Å; L46-I118 WeakPolarHBondContact CA-O 3.47Å; L46-I118 HydrophobicContact CD1-CB 3.73Å; L46-I118 HydrophobicContact CD1-CG2 3.61Å; V47-I118 PolarHBondContact N-O 2.95Å; F57-I118 HydrophobicContact CE1-CD1 4.12Å; I118-V149 CarbonylContact C-O 3.53Å; I118-V149 WeakPolarHBondContact CA-O 2.95Å; I118-V149 HydrophobicContact CG1-CB 4.44Å; I118-C151 HydrophobicContact CG2-CB 4.23Å; I118-P191 HydrophobicContact CD1-CB 3.85Å; I118-P191 HydrophobicContact CG1-CB 4.47Å; I118-F192 HydrophobicContact CD1-CZ 4.39Å; I118-L195 HydrophobicContact CD1-CD1 4.33Å; I118-L195 HydrophobicContact CG1-CD1 3.98Å
119I98.1Very high96.2Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-101.7122.1169.6-53.3179.1000107.4V47 V132 W135 H136 I148 V149 L150 C151V47-I119 HydrophobicContact CG2-CB 4.28Å; V47-I119 HydrophobicContact CG2-CG1 3.76Å; V47-I119 HydrophobicContact CG2-CG2 4.36Å; V47-I119 WeakPolarHBondContact O-CA 3.41Å; I119-V132 HydrophobicContact CG2-CG1 4.2Å; I119-V132 HydrophobicContact CG2-CG2 4.33Å; I119-W135 HydrophobicContact CG2-CB 4.11Å; I119-H136 HydrophobicContact CD1-CB 3.79Å; I119-I148 HydrophobicContact CD1-CG2 3.86Å; I119-I148 HydrophobicContact CG1-CG2 3.85Å; I119-V149 PolarHBondContact N-O 3.21Å; I119-L150 HydrophobicContact CB-CD1 4.11Å; I119-L150 HydrophobicContact CG2-CD1 4.13Å; I119-L150 WeakPolarHBondContact O-CA 3Å; I119-C151 PolarHBondContact O-N 3.47Å
120M98.4Very high96.8Very high1 Ų145.3 Ų45.31%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-113.6132.5-176.1-167.3179.1-69.600111.9L46 V47 G48 K54 F57 C151 N153 I180L46-M120 HydrophobicContact CD1-CB 4.42Å; L46-M120 HydrophobicContact CD1-CE 4.04Å; V47-M120 PolarHBondContact O-N 3.41Å; G48-M120 WeakPolarHBondContact CA-O 3.36Å; K54-M120 HydrophobicContact CG-CB 4.07Å; K54-M120 HydrophobicContact CG-SD 3.98Å; F57-M120 HydrophobicContact CB-CE 3.68Å; F57-M120 HydrophobicContact CD1-CE 3.88Å; F57-M120 HydrophobicContact CD2-CE 4.11Å; F57-M120 HydrophobicContact CG-CE 3.63Å; M120-C151 WeakPolarHBondContact CA-O 3.21Å; M120-C151 HydrophobicContact CG-CB 4.47Å; M120-N153 HydrophobicContact CG-CB 4.05Å; M120-N153 HydrophobicContact SD-CB 4.01Å; M120-I180 HydrophobicContact CE-CD1 3.98Å
121F98.6Very high97.1Very high0 Ų045.2 Ų45.20%022%0.218CC..EExtended strand (participates in β ladder)trans-125.2168.6167.472.7-87.7000110.9V123 Y129 V132 L150 C151 N153 V162 I167 Y177F121-V123 HydrophobicContact CE2-CG1 3.91Å; F121-V123 HydrophobicContact CZ-CG1 4.5Å; F121-Y129 AromaticContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD2-CD2 4.02Å; F121-Y129 HydrophobicContact CD2-CG 4.35Å; F121-Y129 AromaticContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CE2 4.22Å; F121-Y129 AromaticContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CG 4.35Å; F121-Y129 HydrophobicContact CG-CD2 4.03Å; F121-Y129 AromaticContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CE2 4.31Å; F121-V132 HydrophobicContact CB-CG2 3.99Å; F121-V132 HydrophobicContact CD1-CG2 4.05Å; F121-V132 HydrophobicContact CG-CG2 4.3Å; F121-L150 HydrophobicContact CD1-CD1 3.79Å; F121-L150 HydrophobicContact CD1-CG 4.22Å; F121-L150 HydrophobicContact CE1-CD1 4Å; F121-L150 HydrophobicContact CE1-CD2 4.13Å; F121-L150 HydrophobicContact CE1-CG 3.91Å; F121-C151 WeakPolarHBondContact CD1-O 3.07Å; F121-C151 PolarHBondContact N-O 3.08Å; F121-N153 PolarHBondContact O-N 3.2Å; F121-V162 HydrophobicContact CE2-CB 4.19Å; F121-V162 HydrophobicContact CE2-CG1 3.86Å; F121-V162 HydrophobicContact CZ-CG1 4.47Å; F121-I167 HydrophobicContact CE2-CD1 4.46Å; F121-I167 HydrophobicContact CZ-CD1 3.91Å; F121-I167 HydrophobicContact CZ-CG1 4.07Å; F121-I167 HydrophobicContact CZ-CG2 4.42Å; F121-Y177 AromaticContact CE1-CE2 3.69Å; F121-Y177 HydrophobicContact CE1-CE2 3.69Å; F121-Y177 AromaticContact CZ-CE2 3.78Å; F121-Y177 HydrophobicContact CZ-CE2 3.78Å
122D98.2Very high97.4Very high11 Ų1145.2 Ų45.26%0.05922%0.218CC..EExtended strand (participates in β ladder)trans-104.5120.4178.8-178.3-8.8000109.8T52 T124 S125 T128 K154T52-D122 HydrophobicContact CG2-CB 4.28Å; D122-T124 PolarHBondContact O-N 3.23Å; D122-T124 VanDerWaalsContact O-N 3.14Å; D122-T124 PolarHBondContact OD1-N 2.73Å; D122-T124 PolarHBondContact OD1-OG1 3.18Å; D122-T124 PolarHBondContact OD2-OG1 3.05Å; D122-S125 PolarHBondContact O-N 3.19Å; D122-T128 HydrophobicContact CB-CG2 4.32Å; D122-T128 PolarHBondContact N-OG1 3.08Å; D122-T128 PolarHBondContact O-OG1 2.98Å; D122-K154 WeakPolarHBondContact OD1-CD 3.47Å; D122-K154 WeakPolarHBondContact OD2-CD 2.87Å; D122-K154 VanDerWaalsContact OD2-CE 3.25Å; D122-K154 WeakPolarHBondContact OD2-CE 3.35Å; D122-K154 IonicContact OD2-NZ 2.68Å; D122-K154 PolarHBondContact OD2-NZ 3.26Å
123V98.3Very high97.5Very high0 Ų043.4 Ų43.40%021%0.212CC..THydrogen-bonded Turntrans-66.5-15.2-179-55.70000113.2F121 N153 V155 R160 K161 V162F121-V123 HydrophobicContact CE2-CG1 3.91Å; F121-V123 HydrophobicContact CZ-CG1 4.5Å; V123-N153 WeakPolarHBondContact CG2-O 3.37Å; V123-N153 PolarHBondContact N-O 2.84Å; V123-V155 HydrophobicContact CG1-CG1 4Å; V123-V155 HydrophobicContact CG2-CG1 4.1Å; V123-R160 HydrophobicContact CB-CG 4.08Å; V123-R160 HydrophobicContact CG2-CG 4.06Å; V123-K161 WeakPolarHBondContact O-CA 3.13Å; V123-K161 PolarHBondContact O-N 3.25Å; V123-V162 PolarHBondContact O-N 2.83Å
124T97.9Very high97.4Very high41 Ų4138.5 Ų38.525%0.25219%0.191SC..THydrogen-bonded Turntrans-88.8-3.4174.576.30000112.8D122 I157 K161D122-T124 PolarHBondContact O-N 3.23Å; D122-T124 VanDerWaalsContact O-N 3.14Å; D122-T124 PolarHBondContact OD1-N 2.73Å; D122-T124 PolarHBondContact OD1-OG1 3.18Å; D122-T124 PolarHBondContact OD2-OG1 3.05Å; T124-I157 HydrophobicContact CG2-CB 3.66Å; T124-I157 HydrophobicContact CG2-CD1 3.77Å; T124-I157 HydrophobicContact CG2-CG1 4.26Å; T124-I157 HydrophobicContact CG2-CG2 3.71Å; T124-K161 WeakPolarHBondContact O-CG 3.47Å
125S97.7Very high97.3Very high36 Ų3638.6 Ų38.625%0.25219%0.19SC..  trans-133.6101.1-175.2-172.80000112.3D122 V127 T128D122-S125 PolarHBondContact O-N 3.19Å; S125-V127 PolarHBondContact O-N 3.17Å; S125-V127 WeakPolarHBondContact OG-CG1 3.5Å; S125-T128 PolarHBondContact O-N 2.81Å; S125-T128 VanDerWaalsContact O-N 3.09Å; S125-T128 PolarHBondContact O-OG1 2.87Å
126R97.1Very high97.1Very high180 Ų18035.7 Ų35.768%0.67918%0.176SC*.Hα-helixtrans-57.2-35.3-177.2-65.5-174.7178.2175.32.5113.7T128 Y129 K130 K161 V162R126-T128 VanDerWaalsContact C-N 3.25Å; R126-T128 PolarHBondContact O-N 3.42Å; R126-Y129 PolarHBondContact O-N 3.41Å; R126-K130 PolarHBondContact O-N 3.15Å; R126-K161 HydrophobicContact CG-CB 3.94Å; R126-K161 PolarHBondContact NE-O 2.96Å; R126-V162 HydrophobicContact CB-CG2 4.46Å; R126-V162 HydrophobicContact CG-CG2 4.14Å
127V96.4Very high96.9Very high82 Ų8241.2 Ų41.250%0.49720%0.197SC..Hα-helixtrans-61-3718063.50000111.6S125 Y129 K130 N131S125-V127 PolarHBondContact O-N 3.17Å; S125-V127 WeakPolarHBondContact OG-CG1 3.5Å; V127-Y129 VanDerWaalsContact C-N 3.31Å; V127-Y129 PolarHBondContact O-N 2.86Å; V127-K130 PolarHBondContact O-N 2.79Å; V127-N131 PolarHBondContact O-N 2.72Å; V127-N131 PolarHBondContact O-ND2 3.02Å
128T97.4Very high96.5Very high9 Ų942.6 Ų42.66%0.05521%0.205CC..Hα-helixtrans-66.6-35-179.568.60000112.1D49 T52 D122 S125 R126D49-T128 HydrophobicContact CB-CG2 3.84Å; D49-T128 WeakPolarHBondContact OD2-CA 3.49Å; T52-T128 HydrophobicContact CG2-CG2 3.88Å; D122-T128 HydrophobicContact CB-CG2 4.32Å; D122-T128 PolarHBondContact N-OG1 3.08Å; D122-T128 PolarHBondContact O-OG1 2.98Å; S125-T128 PolarHBondContact O-N 2.81Å; S125-T128 VanDerWaalsContact O-N 3.09Å; S125-T128 PolarHBondContact O-OG1 2.87Å; R126-T128 VanDerWaalsContact C-N 3.25Å; R126-T128 PolarHBondContact O-N 3.42Å
129Y98.1Very high96.3Very high33 Ų3342.6 Ų42.613%0.12920%0.204CC..Hα-helixtrans-72.8-41173-177.9-108000111.8F121 R126 V127 N131 V132 L150 V162 S166 I167 V168 F169F121-Y129 AromaticContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD2-CD2 4.02Å; F121-Y129 HydrophobicContact CD2-CG 4.35Å; F121-Y129 AromaticContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CE2 4.22Å; F121-Y129 AromaticContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CG 4.35Å; F121-Y129 HydrophobicContact CG-CD2 4.03Å; F121-Y129 AromaticContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CE2 4.31Å; R126-Y129 PolarHBondContact O-N 3.41Å; V127-Y129 VanDerWaalsContact C-N 3.31Å; V127-Y129 PolarHBondContact O-N 2.86Å; Y129-N131 PolarHBondContact O-N 3.27Å; Y129-N131 VanDerWaalsContact O-N 3.15Å; Y129-V132 HydrophobicContact CD2-CG2 4.15Å; Y129-V132 VanDerWaalsContact O-CB 3.3Å; Y129-V132 WeakPolarHBondContact O-CB 3.35Å; Y129-V132 WeakPolarHBondContact O-CG2 3.45Å; Y129-V132 PolarHBondContact O-N 3.2Å; Y129-L150 HydrophobicContact CE2-CD2 4.35Å; Y129-V162 HydrophobicContact CD1-CG1 4.03Å; Y129-V162 HydrophobicContact CD2-CG1 4.35Å; Y129-V162 HydrophobicContact CG-CG1 3.87Å; Y129-S166 VanDerWaalsContact CE1-O 3.25Å; Y129-S166 WeakPolarHBondContact CE1-O 3.4Å; Y129-S166 PolarHBondContact OH-O 2.98Å; Y129-I167 HydrophobicContact CE2-CB 4.4Å; Y129-I167 HydrophobicContact CE2-CG1 4.26Å; Y129-I167 HydrophobicContact CE2-CG2 3.99Å; Y129-I167 VanDerWaalsContact OH-CA 3.3Å; Y129-I167 WeakPolarHBondContact OH-CA 3.26Å; Y129-V168 PolarHBondContact OH-N 2.93Å; Y129-F169 HydrophobicContact CE2-CB 4.45Å; Y129-F169 WeakPolarHBondContact OH-CB 3.5Å; Y129-F169 PolarHBondContact OH-N 3.17Å; Y129-F169 VanDerWaalsContact OH-N 3.08Å
130K96.6Very high96.1Very high166 Ų16644.8 Ų44.872%0.72222%0.218SC*.Hα-helixtrans-57.9-28.2174.7-171.9175.7-179.2175.30112.5R126 V127 P133R126-K130 PolarHBondContact O-N 3.15Å; V127-K130 PolarHBondContact O-N 2.79Å; K130-P133 WeakPolarHBondContact O-CD 3.44Å
131N95.8Very high95.8Very high45 Ų4552.6 Ų52.624%0.24125%0.247CC..THydrogen-bonded Turntrans-85.7-10.9178.2-71.9-23.3000114.5D49 V127 Y129 P133 N134 W135D49-N131 WeakPolarHBondContact OD1-CB 3.3Å; D49-N131 PolarHBondContact OD2-ND2 3.5Å; V127-N131 PolarHBondContact O-N 2.72Å; V127-N131 PolarHBondContact O-ND2 3.02Å; Y129-N131 PolarHBondContact O-N 3.27Å; Y129-N131 VanDerWaalsContact O-N 3.15Å; N131-P133 VanDerWaalsContact C-CD 3.47Å; N131-N134 WeakPolarHBondContact O-CB 3.21Å; N131-N134 PolarHBondContact O-N 2.94Å; N131-W135 VanDerWaalsContact O-CD1 3.26Å; N131-W135 PolarHBondContact O-N 3.13Å
132V96.8Very high95.6Very high1 Ų154.9 Ų54.91%0.00626%0.261CS..Hα-helixtrans-52.7-44178167.50000113.1I119 F121 Y129 N134 W135 H136 L150 F169I119-V132 HydrophobicContact CG2-CG1 4.2Å; I119-V132 HydrophobicContact CG2-CG2 4.33Å; F121-V132 HydrophobicContact CB-CG2 3.99Å; F121-V132 HydrophobicContact CD1-CG2 4.05Å; F121-V132 HydrophobicContact CG-CG2 4.3Å; Y129-V132 HydrophobicContact CD2-CG2 4.15Å; Y129-V132 VanDerWaalsContact O-CB 3.3Å; Y129-V132 WeakPolarHBondContact O-CB 3.35Å; Y129-V132 WeakPolarHBondContact O-CG2 3.45Å; Y129-V132 PolarHBondContact O-N 3.2Å; V132-N134 PolarHBondContact O-N 3.34Å; V132-W135 PolarHBondContact O-N 3.25Å; V132-H136 WeakPolarHBondContact O-CB 3.31Å; V132-H136 PolarHBondContact O-N 3.23Å; V132-L150 HydrophobicContact CB-CD1 4.47Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å; V132-L150 HydrophobicContact CG1-CD2 4.47Å; V132-L150 HydrophobicContact CG2-CD1 3.93Å; V132-F169 HydrophobicContact CG1-CD1 3.49Å; V132-F169 VanDerWaalsContact CG1-CD1 3.49Å; V132-F169 HydrophobicContact CG1-CE1 3.73Å; V132-F169 HydrophobicContact CG1-CG 4.12Å
133P96.2Very high95.3Very high54 Ų5454.8 Ų54.835%0.35126%0.261SS..Hα-helixtrans-58.8-34.1176.8-24.834.7000113.8K130 N131 R137 F169K130-P133 WeakPolarHBondContact O-CD 3.44Å; N131-P133 VanDerWaalsContact C-CD 3.47Å; P133-R137 VanDerWaalsContact O-CB 3.25Å; P133-R137 WeakPolarHBondContact O-CB 3.37Å; P133-R137 PolarHBondContact O-N 3.03Å; P133-F169 HydrophobicContact CB-CD2 4.34Å; P133-F169 HydrophobicContact CB-CE2 3.72Å; P133-F169 HydrophobicContact CB-CZ 4.26Å; P133-F169 HydrophobicContact CG-CD2 3.82Å; P133-F169 HydrophobicContact CG-CE2 3.72Å; P133-F169 HydrophobicContact CG-CZ 4.47Å
134N93.4Very high94.9Very high61 Ų6162 Ų6233%0.32630%0.295SS..Hα-helixtrans-67.9-49.7177.4-65.2-39.1000110.6N131 V132 H136 R137 D138N131-N134 WeakPolarHBondContact O-CB 3.21Å; N131-N134 PolarHBondContact O-N 2.94Å; V132-N134 PolarHBondContact O-N 3.34Å; N134-H136 VanDerWaalsContact C-N 3.3Å; N134-H136 PolarHBondContact O-N 3.12Å; N134-R137 PolarHBondContact O-N 3.39Å; N134-R137 PolarHBondContact OD1-NH1 3.37Å; N134-R137 PolarHBondContact OD1-NH2 2.95Å; N134-R137 VanDerWaalsContact OD1-NH2 3.12Å; N134-D138 PolarHBondContact O-N 2.86Å
135W94.1Very high94.6Very high9 Ų967.6 Ų67.63%0.03432%0.323CS..Hα-helixtrans-58.3-43.4176.2-70.9109.5000112.3V47 G48 D49 R107 I119 N131 V132 L139V47-W135 HydrophobicContact CB-CD2 4.47Å; V47-W135 HydrophobicContact CB-CE3 3.85Å; V47-W135 HydrophobicContact CB-CZ3 4.2Å; V47-W135 HydrophobicContact CG2-CB 4.35Å; V47-W135 HydrophobicContact CG2-CE3 4.38Å; G48-W135 VanDerWaalsContact C-CE2 3.44Å; G48-W135 VanDerWaalsContact C-CZ2 3.42Å; G48-W135 VanDerWaalsContact O-CZ2 3.31Å; G48-W135 WeakPolarHBondContact O-CZ2 3.42Å; D49-W135 PolarHBondContact OD1-NE1 3.38Å; R107-W135 VanDerWaalsContact NH2-CH2 3.29Å; I119-W135 HydrophobicContact CG2-CB 4.11Å; N131-W135 VanDerWaalsContact O-CD1 3.26Å; N131-W135 PolarHBondContact O-N 3.13Å; V132-W135 PolarHBondContact O-N 3.25Å; W135-L139 VanDerWaalsContact O-CB 3.26Å; W135-L139 WeakPolarHBondContact O-CB 3.4Å; W135-L139 PolarHBondContact O-N 3.29Å
136H95.2Very high94.6Very high20 Ų2067.2 Ų67.29%0.09332%0.318CS..Hα-helixtrans-62.7-48.4175.9176.3-81.1000111.7I119 V132 N134 D138 L139 V140 F169I119-H136 HydrophobicContact CD1-CB 3.79Å; V132-H136 WeakPolarHBondContact O-CB 3.31Å; V132-H136 PolarHBondContact O-N 3.23Å; N134-H136 VanDerWaalsContact C-N 3.3Å; N134-H136 PolarHBondContact O-N 3.12Å; H136-D138 VanDerWaalsContact C-N 3.32Å; H136-D138 PolarHBondContact O-N 3.43Å; H136-L139 PolarHBondContact O-N 2.94Å; H136-V140 WeakPolarHBondContact O-CG1 3.43Å; H136-V140 WeakPolarHBondContact O-CG2 3.46Å; H136-V140 PolarHBondContact O-N 2.96Å; H136-F169 HydrophobicContact CB-CE1 3.74Å; H136-F169 HydrophobicContact CB-CZ 3.6Å; H136-F169 AromaticContact CD2-CE1 3.93Å; H136-F169 AromaticContact CG-CE1 3.79Å; H136-F169 AromaticContact CG-CZ 3.61Å; H136-F169 AromaticContact ND1-CZ 3.97Å
137R93.1Very high94.6Very high116 Ų11660 Ų6044%0.43830%0.295SS..Hα-helixtrans-56.9-46.5179.3177.9-170.263.3-132.1-9.6111.5P133 N134 R141P133-R137 VanDerWaalsContact O-CB 3.25Å; P133-R137 WeakPolarHBondContact O-CB 3.37Å; P133-R137 PolarHBondContact O-N 3.03Å; N134-R137 PolarHBondContact O-N 3.39Å; N134-R137 PolarHBondContact OD1-NH1 3.37Å; N134-R137 PolarHBondContact OD1-NH2 2.95Å; N134-R137 VanDerWaalsContact OD1-NH2 3.12Å; R137-R141 WeakPolarHBondContact O-CB 3.25Å; R137-R141 PolarHBondContact O-N 2.98Å; R137-R141 VanDerWaalsContact O-N 3.11Å
138D91.4Very high94.8Very high29 Ų2956.5 Ų56.516%0.15527%0.273CS..Hα-helixtrans-69-38-177.4-58.9-10.4000110.5Y111 N134 H136Y111-D138 HydrophobicContact CE2-CB 4.29Å; N134-D138 PolarHBondContact O-N 2.86Å; H136-D138 VanDerWaalsContact C-N 3.32Å; H136-D138 PolarHBondContact O-N 3.43Å
139L92.8Very high94.8Very high0 Ų056.1 Ų56.10%027%0.271CS..Hα-helixtrans-62.6-52.7174.6-175.2104.5000112.3V45 Y111 A117 W135 H136 R141 V142 C143 I146 I148V45-L139 HydrophobicContact CG2-CD1 3.39Å; Y111-L139 HydrophobicContact CD1-CD1 4.37Å; A117-L139 HydrophobicContact CB-CD1 3.72Å; A117-L139 HydrophobicContact CB-CD2 3.8Å; A117-L139 HydrophobicContact CB-CG 4.41Å; W135-L139 VanDerWaalsContact O-CB 3.26Å; W135-L139 WeakPolarHBondContact O-CB 3.4Å; W135-L139 PolarHBondContact O-N 3.29Å; H136-L139 PolarHBondContact O-N 2.94Å; L139-R141 PolarHBondContact O-N 3.4Å; L139-V142 PolarHBondContact O-N 3.34Å; L139-V142 VanDerWaalsContact O-N 3.1Å; L139-C143 PolarHBondContact O-N 2.97Å; L139-I146 HydrophobicContact CD2-CD1 4.15Å; L139-I148 HydrophobicContact CD2-CD1 3.33Å; L139-I148 HydrophobicContact CD2-CG1 3.72Å
140V94.2Very high94.9Very high47 Ų4754.5 Ų54.529%0.28527%0.265SS..Hα-helixtrans-71.9-17.6-176.2-57.80000113.3H136 V142 I148H136-V140 WeakPolarHBondContact O-CG1 3.43Å; H136-V140 WeakPolarHBondContact O-CG2 3.46Å; H136-V140 PolarHBondContact O-N 2.96Å; V140-V142 PolarHBondContact O-N 3.46Å; V140-I148 HydrophobicContact CG1-CD1 4.1Å
141R92.7Very high95Very high165 Ų16546.6 Ų46.662%0.62323%0.23SC*.Hα-helixtrans-63.3-32.6169.7179.6-176.3-70.1178.2-2.7111.9R137 L139R137-R141 WeakPolarHBondContact O-CB 3.25Å; R137-R141 PolarHBondContact O-N 2.98Å; R137-R141 VanDerWaalsContact O-N 3.11Å; L139-R141 PolarHBondContact O-N 3.4Å
142V93.6Very high95.1Very high47 Ų4744.5 Ų44.529%0.28522%0.219SC..Hα-helixtrans-99.8-36.4-178.5-175.80000111.8D108 Y111 I112 L139 V140D108-V142 HydrophobicContact CB-CG2 3.94Å; Y111-V142 HydrophobicContact CD2-CB 4.32Å; Y111-V142 HydrophobicContact CD2-CG2 4.01Å; I112-V142 HydrophobicContact CG1-CG1 4Å; L139-V142 PolarHBondContact O-N 3.34Å; L139-V142 VanDerWaalsContact O-N 3.1Å; V140-V142 PolarHBondContact O-N 3.46Å
143C92.9Very high95.2Very high10 Ų1044.6 Ų44.67%0.06822%0.219CC..SBendtrans-12793.9-177.2-67.70000110.5Y111 L139 I146Y111-C143 PolarHBondContact O-SG 2.97Å; L139-C143 PolarHBondContact O-N 2.97Å; C143-I146 HydrophobicContact CB-CD1 3.77Å; C143-I146 HydrophobicContact CB-CG1 4.12Å; C143-I146 HydrophobicContact CB-CG2 4.12Å
144E90.4Very high95.2Very high151 Ų15144.6 Ų44.671%0.70621%0.214SC*.THydrogen-bonded Turntrans-71.4141174.8-62.7-176.8-176.500110.8I146E144-I146 VanDerWaalsContact C-N 3.31Å; E144-I146 PolarHBondContact O-N 2.96Å
145N91.1Very high95.4Very high158 Ų15841.7 Ų41.785%0.84520%0.198SC*.THydrogen-bonded Turntrans60.523.5168.4-55.9-44.4000117.3
146I97.4Very high95.4Very high28 Ų2842.7 Ų42.714%0.14420%0.204CC..  trans-80147.9171.362167.8000111.6A114 A117 L139 C143 E144 I148A114-I146 HydrophobicContact CB-CD1 4.14Å; A114-I146 WeakPolarHBondContact O-CG2 3.4Å; A117-I146 HydrophobicContact CB-CD1 4.14Å; L139-I146 HydrophobicContact CD2-CD1 4.15Å; C143-I146 HydrophobicContact CB-CD1 3.77Å; C143-I146 HydrophobicContact CB-CG1 4.12Å; C143-I146 HydrophobicContact CB-CG2 4.12Å; E144-I146 VanDerWaalsContact C-N 3.31Å; E144-I146 PolarHBondContact O-N 2.96Å; I146-I148 HydrophobicContact CG1-CD1 4.4Å; I146-I148 HydrophobicContact CG1-CG1 4.07Å; I146-I148 WeakPolarHBondContact O-CG1 3.41Å; I146-I148 PolarHBondContact O-N 3.36Å
147P98.3Very high95.3Very high30 Ų3044.9 Ų44.920%0.19522%0.216CC..  trans-64.9127.7171.325.8-34.5000111Q115 C116 A117 W194 L195 K198 L199Q115-P147 WeakPolarHBondContact O-CD 3.09Å; C116-P147 VanDerWaalsContact CA-O 3.31Å; C116-P147 WeakPolarHBondContact CA-O 3.21Å; C116-P147 HydrophobicContact CB-CG 4.02Å; A117-P147 PolarHBondContact N-O 2.96Å; P147-W194 HydrophobicContact CB-CH2 4.31Å; P147-W194 HydrophobicContact CB-CZ3 3.86Å; P147-L195 HydrophobicContact CB-CD2 3.87Å; P147-L195 HydrophobicContact CG-CD2 4.23Å; P147-L195 WeakPolarHBondContact O-CD2 3.45Å; P147-K198 HydrophobicContact CB-CB 3.96Å; P147-K198 HydrophobicContact CB-CG 4.47Å; P147-K198 HydrophobicContact CG-CB 4.38Å; P147-L199 HydrophobicContact CG-CD2 3.74Å; P147-L199 HydrophobicContact CG-CG 4.02Å
148I98.6Very high95.2Very high8 Ų847.7 Ų47.74%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-126.6134.6-177.7-55.3159.3000109.5A117 I119 L139 V140 I146 L175A117-I148 HydrophobicContact CB-CG1 4.12Å; A117-I148 HydrophobicContact CB-CG2 4.3Å; A117-I148 WeakPolarHBondContact O-CA 3.18Å; I119-I148 HydrophobicContact CD1-CG2 3.86Å; I119-I148 HydrophobicContact CG1-CG2 3.85Å; L139-I148 HydrophobicContact CD2-CD1 3.33Å; L139-I148 HydrophobicContact CD2-CG1 3.72Å; V140-I148 HydrophobicContact CG1-CD1 4.1Å; I146-I148 HydrophobicContact CG1-CD1 4.4Å; I146-I148 HydrophobicContact CG1-CG1 4.07Å; I146-I148 WeakPolarHBondContact O-CG1 3.41Å; I146-I148 PolarHBondContact O-N 3.36Å; I148-L175 HydrophobicContact CB-CD2 4.02Å; I148-L175 HydrophobicContact CD1-CD2 4.38Å; I148-L175 HydrophobicContact CG2-CD1 4.28Å
149V98.8Very high95.3Very high0 Ų051 Ų510%025%0.249CC..EExtended strand (participates in β ladder)trans-109.3132.1171.2-177.30000109.6A117 I118 I119 Q176 Y178 P191 W194 L195A117-V149 PolarHBondContact O-N 2.89Å; I118-V149 CarbonylContact C-O 3.53Å; I118-V149 WeakPolarHBondContact CA-O 2.95Å; I118-V149 HydrophobicContact CG1-CB 4.44Å; I119-V149 PolarHBondContact N-O 3.21Å; V149-Q176 WeakPolarHBondContact CA-O 3.45Å; V149-Q176 HydrophobicContact CG2-CB 4.36Å; V149-Y178 HydrophobicContact CG1-CD2 3.74Å; V149-Y178 HydrophobicContact CG1-CE2 4.22Å; V149-P191 HydrophobicContact CB-CB 4.44Å; V149-P191 HydrophobicContact CG1-CB 4Å; V149-P191 HydrophobicContact CG1-CG 4.42Å; V149-W194 HydrophobicContact CG2-CD2 4.22Å; V149-W194 HydrophobicContact CG2-CE3 3.41Å; V149-W194 VanDerWaalsContact CG2-CE3 3.41Å; V149-W194 HydrophobicContact CG2-CZ3 3.83Å; V149-L195 HydrophobicContact CG2-CD1 4.29Å; V149-L195 HydrophobicContact CG2-CD2 3.84Å; V149-L195 HydrophobicContact CG2-CG 3.75Å
150L98.8Very high95.5Very high0 Ų051.9 Ų51.90%025%0.252CS..EExtended strand (participates in β ladder)trans-93.2125169-178.365.5000109.5I119 F121 Y129 V132 I167 H170 Q176 Y177 Y178I119-L150 HydrophobicContact CB-CD1 4.11Å; I119-L150 HydrophobicContact CG2-CD1 4.13Å; I119-L150 WeakPolarHBondContact O-CA 3Å; F121-L150 HydrophobicContact CD1-CD1 3.79Å; F121-L150 HydrophobicContact CD1-CG 4.22Å; F121-L150 HydrophobicContact CE1-CD1 4Å; F121-L150 HydrophobicContact CE1-CD2 4.13Å; F121-L150 HydrophobicContact CE1-CG 3.91Å; Y129-L150 HydrophobicContact CE2-CD2 4.35Å; V132-L150 HydrophobicContact CB-CD1 4.47Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å; V132-L150 HydrophobicContact CG1-CD2 4.47Å; V132-L150 HydrophobicContact CG2-CD1 3.93Å; L150-I167 HydrophobicContact CD2-CG2 4.29Å; L150-H170 HydrophobicContact CD2-CB 4.07Å; L150-Q176 PolarHBondContact N-O 3.08Å; L150-Y177 HydrophobicContact CB-CD2 4.12Å; L150-Y177 HydrophobicContact CD2-CD2 3.93Å; L150-Y177 HydrophobicContact CD2-CE2 4.47Å; L150-Y177 HydrophobicContact CG-CD2 3.87Å; L150-Y177 HydrophobicContact CG-CE2 4.34Å; L150-Y177 VanDerWaalsContact O-CA 3.31Å; L150-Y177 WeakPolarHBondContact O-CA 3.49Å; L150-Y177 VanDerWaalsContact O-CD2 3.26Å; L150-Y177 WeakPolarHBondContact O-CD2 3.43Å; L150-Y178 PolarHBondContact O-N 2.87Å
151C98.8Very high95.6Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-117.6122.5-179.7-69.40000111.3I118 I119 M120 F121 Y178 I180 P191I118-C151 HydrophobicContact CG2-CB 4.23Å; I119-C151 PolarHBondContact O-N 3.47Å; M120-C151 WeakPolarHBondContact CA-O 3.21Å; M120-C151 HydrophobicContact CG-CB 4.47Å; F121-C151 WeakPolarHBondContact CD1-O 3.07Å; F121-C151 PolarHBondContact N-O 3.08Å; C151-Y178 WeakPolarHBondContact CA-O 3.26Å; C151-I180 HydrophobicContact CB-CD1 3.73Å; C151-I180 HydrophobicContact CB-CG1 4.17Å; C151-P191 VanDerWaalsContact SG-CG 3.52Å
152G98.5Very high95.8Very high0 Ų045.8 Ų45.80%023%0.227CC..EExtended strand (participates in β ladder)trans-91.8103.2167.200000109.9Y178 I180G152-Y178 PolarHBondContact N-O 3.46Å; G152-I180 PolarHBondContact O-N 3.18Å
153N98.4Very high95.8Very high4 Ų450.3 Ų50.32%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-88.1165.5-177.4-168.829.5000112.5T52 M120 F121 V123 I180 A182T52-N153 PolarHBondContact O-ND2 3.22Å; M120-N153 HydrophobicContact CG-CB 4.05Å; M120-N153 HydrophobicContact SD-CB 4.01Å; F121-N153 PolarHBondContact O-N 3.2Å; V123-N153 WeakPolarHBondContact CG2-O 3.37Å; V123-N153 PolarHBondContact N-O 2.84Å; N153-I180 CarbonylContact C-O 3.58Å; N153-I180 WeakPolarHBondContact CA-O 3.36Å; N153-I180 HydrophobicContact CB-CD1 4.18Å; N153-I180 HydrophobicContact CB-CG1 3.94Å; N153-I180 PolarHBondContact OD1-O 3.28Å; N153-A182 PolarHBondContact OD1-N 2.84Å; N153-A182 VanDerWaalsContact OD1-N 3.12Å
154K96.8Very high95.8Very high53 Ų5350.1 Ų50.123%0.2324%0.242CC..  trans69.631.3177-45.6-169.2-165.9165.20114.9G51 D122 D156 I157 I180G51-K154 WeakPolarHBondContact O-CE 3.45Å; G51-K154 PolarHBondContact O-NZ 3.33Å; D122-K154 WeakPolarHBondContact OD1-CD 3.47Å; D122-K154 WeakPolarHBondContact OD2-CD 2.87Å; D122-K154 VanDerWaalsContact OD2-CE 3.25Å; D122-K154 WeakPolarHBondContact OD2-CE 3.35Å; D122-K154 IonicContact OD2-NZ 2.68Å; D122-K154 PolarHBondContact OD2-NZ 3.26Å; K154-D156 WeakPolarHBondContact CA-OD1 3.16Å; K154-D156 PolarHBondContact O-N 2.64Å; K154-D156 VanDerWaalsContact O-N 3.12Å; K154-I157 HydrophobicContact CB-CD1 4.02Å; K154-I157 HydrophobicContact CB-CG1 4.44Å; K154-I157 HydrophobicContact CD-CD1 4.19Å; K154-I157 PolarHBondContact O-N 3.37Å; K154-I180 PolarHBondContact N-O 2.79Å
155V96.8Very high95.8Very high0 Ų050.9 Ų50.90%024%0.243CC..THydrogen-bonded Turntrans-65.3-12.8176.8-57.20000113.7V123 I157 D179 I180 Y186 M220 Y228V123-V155 HydrophobicContact CG1-CG1 4Å; V123-V155 HydrophobicContact CG2-CG1 4.1Å; V155-I157 PolarHBondContact O-N 2.79Å; V155-D179 HydrophobicContact CG1-CB 3.82Å; V155-I180 WeakPolarHBondContact CG2-O 3.38Å; V155-I180 PolarHBondContact N-O 3.04Å; V155-Y186 HydrophobicContact CG2-CD1 3.67Å; V155-Y186 HydrophobicContact CG2-CE1 4.15Å; V155-M220 HydrophobicContact CB-CE 4.45Å; V155-M220 HydrophobicContact CG2-CE 3.95Å; V155-M220 HydrophobicContact CG2-SD 4.37Å; V155-Y228 HydrophobicContact CB-CD2 4.24Å; V155-Y228 HydrophobicContact CB-CE2 4.04Å; V155-Y228 WeakPolarHBondContact O-CE2 3.31Å
156D94.2Very high95.9Very high30 Ų3046 Ų4616%0.1622%0.221CC..THydrogen-bonded Turntrans-64.9-18.7170.256.8-76.3000113.8K154 S181 I218 M220K154-D156 WeakPolarHBondContact CA-OD1 3.16Å; K154-D156 PolarHBondContact O-N 2.64Å; K154-D156 VanDerWaalsContact O-N 3.12Å; D156-S181 VanDerWaalsContact CG-OG 3.26Å; D156-S181 VanDerWaalsContact OD1-CB 3.31Å; D156-S181 WeakPolarHBondContact OD1-CB 3.42Å; D156-S181 PolarHBondContact OD1-OG 3.49Å; D156-I218 HydrophobicContact CB-CD1 3.53Å; D156-I218 HydrophobicContact CB-CG1 4.48Å; D156-I218 VanDerWaalsContact OD2-CD1 3.3Å; D156-I218 WeakPolarHBondContact OD2-CD1 3.25Å; D156-M220 HydrophobicContact CB-SD 4.3Å
157I93.8Very high95.8Very high67 Ų6744.8 Ų44.834%0.34422%0.215SC..SBendtrans-84.4120.6177.7-58.8175.8000109.4T124 K154 V155 D159T124-I157 HydrophobicContact CG2-CB 3.66Å; T124-I157 HydrophobicContact CG2-CD1 3.77Å; T124-I157 HydrophobicContact CG2-CG1 4.26Å; T124-I157 HydrophobicContact CG2-CG2 3.71Å; K154-I157 HydrophobicContact CB-CD1 4.02Å; K154-I157 HydrophobicContact CB-CG1 4.44Å; K154-I157 HydrophobicContact CD-CD1 4.19Å; K154-I157 PolarHBondContact O-N 3.37Å; V155-I157 PolarHBondContact O-N 2.79Å; I157-D159 VanDerWaalsContact C-N 3.29Å; I157-D159 PolarHBondContact O-N 2.91Å
158K90.9Very high95.6Very high174 Ų17444.5 Ų44.576%0.75721%0.212SC*.SBendtrans-60.1-35.1-178-67.1-171.8177.5-173.40113.6R160K158-R160 PolarHBondContact O-N 2.93Å
159D93.8Very high95.5Very high98 Ų9845 Ų4552%0.52421%0.214SC..SBendtrans-80.158.4-179.6-169.724.1000112.4I157 K161I157-D159 VanDerWaalsContact C-N 3.29Å; I157-D159 PolarHBondContact O-N 2.91Å; D159-K161 VanDerWaalsContact CG-CE 3.49Å; D159-K161 PolarHBondContact O-N 3.22Å; D159-K161 WeakPolarHBondContact OD1-CE 3.08Å; D159-K161 IonicContact OD1-NZ 3.43Å; D159-K161 PolarHBondContact OD1-NZ 3.23Å; D159-K161 WeakPolarHBondContact OD2-CE 3.18Å; D159-K161 IonicContact OD2-NZ 3.73Å; D159-K161 PolarHBondContact OD2-NZ 2.73Å
160R96.1Very high95.3Very high19 Ų1946.6 Ų46.67%0.07222%0.221CC..  trans-67.3118.6178.7-179.4174.2-177.716110.6110.7V123 K158 V162 D179 Y228V123-R160 HydrophobicContact CB-CG 4.08Å; V123-R160 HydrophobicContact CG2-CG 4.06Å; K158-R160 PolarHBondContact O-N 2.93Å; R160-V162 WeakPolarHBondContact CG-O 3.33Å; R160-V162 PolarHBondContact NE-O 3.12Å; R160-D179 IonicContact CZ-OD1 3.04Å; R160-D179 IonicContact CZ-OD2 3.68Å; R160-D179 IonicContact NH1-OD1 3.04Å; R160-D179 IonicContact NH1-OD2 3.79Å; R160-D179 PolarHBondContact NH1-OD2 2.95Å; R160-D179 IonicContact NH2-OD1 3.49Å; R160-D179 PolarHBondContact NH2-OD1 2.98Å; R160-D179 IonicContact NH2-OD2 3.63Å; R160-D179 PolarHBondContact NH2-OD2 3.34Å; R160-Y228 VanDerWaalsContact NH1-CG 3.32Å
161K96.8Very high95Very high82 Ų8250.3 Ų50.336%0.35724%0.235SC..SBendtrans-93.8-28.1-178.8-57.7-56.3-173.5-168.10114V123 T124 R126 D159V123-K161 WeakPolarHBondContact O-CA 3.13Å; V123-K161 PolarHBondContact O-N 3.25Å; T124-K161 WeakPolarHBondContact O-CG 3.47Å; R126-K161 HydrophobicContact CG-CB 3.94Å; R126-K161 PolarHBondContact NE-O 2.96Å; D159-K161 VanDerWaalsContact CG-CE 3.49Å; D159-K161 PolarHBondContact O-N 3.22Å; D159-K161 WeakPolarHBondContact OD1-CE 3.08Å; D159-K161 IonicContact OD1-NZ 3.43Å; D159-K161 PolarHBondContact OD1-NZ 3.23Å; D159-K161 WeakPolarHBondContact OD2-CE 3.18Å; D159-K161 IonicContact OD2-NZ 3.73Å; D159-K161 PolarHBondContact OD2-NZ 2.73Å
162V96.4Very high94.7Very high3 Ų353.5 Ų53.52%0.01825%0.249CC..SBendtrans-107.8103.7177.6-173.80000108.3F121 V123 R126 Y129 R160 I167F121-V162 HydrophobicContact CE2-CB 4.19Å; F121-V162 HydrophobicContact CE2-CG1 3.86Å; F121-V162 HydrophobicContact CZ-CG1 4.47Å; V123-V162 PolarHBondContact O-N 2.83Å; R126-V162 HydrophobicContact CB-CG2 4.46Å; R126-V162 HydrophobicContact CG-CG2 4.14Å; Y129-V162 HydrophobicContact CD1-CG1 4.03Å; Y129-V162 HydrophobicContact CD2-CG1 4.35Å; Y129-V162 HydrophobicContact CG-CG1 3.87Å; R160-V162 WeakPolarHBondContact CG-O 3.33Å; R160-V162 PolarHBondContact NE-O 3.12Å; V162-I167 HydrophobicContact CG1-CD1 4.03Å; V162-I167 HydrophobicContact CG1-CG1 3.65Å
163K94.3Very high94.5Very high141 Ų14158.9 Ų58.961%0.61327%0.273SS*.  trans-90.7160.6-175.1-62.8-172.6177.7-174.70111.3K165 S166 I167K163-K165 PolarHBondContact O-N 2.91Å; K163-K165 VanDerWaalsContact O-N 3.13Å; K163-S166 PolarHBondContact N-OG 2.85Å; K163-S166 VanDerWaalsContact N-OG 3.11Å; K163-S166 PolarHBondContact O-N 2.49Å; K163-S166 PolarHBondContact O-OG 3.03Å; K163-I167 WeakPolarHBondContact O-CG1 3.5Å; K163-I167 PolarHBondContact O-N 2.87Å
164A92.3Very high94.3Very high6 Ų665.9 Ų65.95%0.0531%0.31CS..G310 helixtrans-45.5-46.517700000113.1S166 I167 D231 L232 A235A164-S166 VanDerWaalsContact C-N 3.25Å; A164-S166 PolarHBondContact O-N 3.45Å; A164-I167 PolarHBondContact O-N 3.47Å; A164-D231 HydrophobicContact CB-CB 3.9Å; A164-L232 HydrophobicContact CB-CD2 3.74Å; A164-L232 HydrophobicContact CB-CG 4.14Å; A164-A235 HydrophobicContact CB-CB 4.16Å
165K90.9Very high94.2Very high168 Ų16864.3 Ų64.373%0.7330%0.304SS*.G310 helixtrans-58.3-30.5178.8-62.4-172.6179.2-173.50114.7K163K163-K165 PolarHBondContact O-N 2.91Å; K163-K165 VanDerWaalsContact O-N 3.13Å
166S92.8Very high94.3Very high54 Ų5467.2 Ų67.238%0.37832%0.318SS..G310 helixtrans-84-13.2177.954.10000113.5Y129 K163 A164 V168Y129-S166 VanDerWaalsContact CE1-O 3.25Å; Y129-S166 WeakPolarHBondContact CE1-O 3.4Å; Y129-S166 PolarHBondContact OH-O 2.98Å; K163-S166 PolarHBondContact N-OG 2.85Å; K163-S166 VanDerWaalsContact N-OG 3.11Å; K163-S166 PolarHBondContact O-N 2.49Å; K163-S166 PolarHBondContact O-OG 3.03Å; A164-S166 VanDerWaalsContact C-N 3.25Å; A164-S166 PolarHBondContact O-N 3.45Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 2.93Å; S166-V168 VanDerWaalsContact O-N 3.08Å
167I95.4Very high94.5Very high3 Ų366.3 Ų66.32%0.01531%0.312CS..  trans-90.272.5-173.2-59.3158.4000109.4F121 Y129 L150 V162 K163 A164 H170 Y177F121-I167 HydrophobicContact CE2-CD1 4.46Å; F121-I167 HydrophobicContact CZ-CD1 3.91Å; F121-I167 HydrophobicContact CZ-CG1 4.07Å; F121-I167 HydrophobicContact CZ-CG2 4.42Å; Y129-I167 HydrophobicContact CE2-CB 4.4Å; Y129-I167 HydrophobicContact CE2-CG1 4.26Å; Y129-I167 HydrophobicContact CE2-CG2 3.99Å; Y129-I167 VanDerWaalsContact OH-CA 3.3Å; Y129-I167 WeakPolarHBondContact OH-CA 3.26Å; L150-I167 HydrophobicContact CD2-CG2 4.29Å; V162-I167 HydrophobicContact CG1-CD1 4.03Å; V162-I167 HydrophobicContact CG1-CG1 3.65Å; K163-I167 WeakPolarHBondContact O-CG1 3.5Å; K163-I167 PolarHBondContact O-N 2.87Å; A164-I167 PolarHBondContact O-N 3.47Å; I167-H170 PolarHBondContact O-CE1 3.34Å; I167-H170 PolarHBondContact O-ND1 3.12Å; I167-Y177 HydrophobicContact CD1-CE1 4.34Å; I167-Y177 HydrophobicContact CD1-CE2 4.37Å; I167-Y177 WeakPolarHBondContact CD1-OH 3.45Å; I167-Y177 HydrophobicContact CG2-CD2 3.83Å; I167-Y177 HydrophobicContact CG2-CE1 4.44Å; I167-Y177 HydrophobicContact CG2-CE2 3.73Å; I167-Y177 HydrophobicContact CG2-CG 4.21Å
168V95.6Very high94.7Very high24 Ų2465.1 Ų65.115%0.14530%0.304CS..  trans-98.7-16.4-176.8-62.90000114.2Y129 S166 H170 R171 K172 L240Y129-V168 PolarHBondContact OH-N 2.93Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 2.93Å; S166-V168 VanDerWaalsContact O-N 3.08Å; V168-H170 VanDerWaalsContact C-N 3.29Å; V168-H170 PolarHBondContact O-N 2.58Å; V168-R171 WeakPolarHBondContact O-CB 3.42Å; V168-R171 PolarHBondContact O-N 3.15Å; V168-K172 PolarHBondContact O-N 3.2Å; V168-L240 HydrophobicContact CB-CD2 3.89Å; V168-L240 HydrophobicContact CG1-CD2 4.07Å
169F95.9Very high95Very high20 Ų2057 Ų579%0.08827%0.268CS..Hα-helixtrans-58.9-39.4-171.4-176.7-99.1000113.1Y129 V132 P133 H136 R171 K172 K173 L175Y129-F169 HydrophobicContact CE2-CB 4.45Å; Y129-F169 WeakPolarHBondContact OH-CB 3.5Å; Y129-F169 PolarHBondContact OH-N 3.17Å; Y129-F169 VanDerWaalsContact OH-N 3.08Å; V132-F169 HydrophobicContact CG1-CD1 3.49Å; V132-F169 VanDerWaalsContact CG1-CD1 3.49Å; V132-F169 HydrophobicContact CG1-CE1 3.73Å; V132-F169 HydrophobicContact CG1-CG 4.12Å; P133-F169 HydrophobicContact CB-CD2 4.34Å; P133-F169 HydrophobicContact CB-CE2 3.72Å; P133-F169 HydrophobicContact CB-CZ 4.26Å; P133-F169 HydrophobicContact CG-CD2 3.82Å; P133-F169 HydrophobicContact CG-CE2 3.72Å; P133-F169 HydrophobicContact CG-CZ 4.47Å; H136-F169 HydrophobicContact CB-CE1 3.74Å; H136-F169 HydrophobicContact CB-CZ 3.6Å; H136-F169 AromaticContact CD2-CE1 3.93Å; H136-F169 AromaticContact CG-CE1 3.79Å; H136-F169 AromaticContact CG-CZ 3.61Å; H136-F169 AromaticContact ND1-CZ 3.97Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.47Å; F169-K172 PolarHBondContact O-N 2.94Å; F169-K173 HydrophobicContact CE1-CB 4.43Å; F169-K173 HydrophobicContact CE1-CG 3.96Å; F169-K173 HydrophobicContact CE2-CG 3.92Å; F169-K173 HydrophobicContact CZ-CG 3.61Å; F169-K173 PolarHBondContact O-N 2.94Å; F169-K173 VanDerWaalsContact O-N 3.08Å; F169-L175 HydrophobicContact CD1-CD1 4.26Å; F169-L175 HydrophobicContact CE1-CD1 3.99Å
170H94.4Very high95.2Very high32 Ų3252.3 Ų52.315%0.14824%0.243CC..Hα-helixtrans-60.4-36.3178.573.3-81.1000112.2L150 I167 V168 K173 N174 L175L150-H170 HydrophobicContact CD2-CB 4.07Å; I167-H170 PolarHBondContact O-CE1 3.34Å; I167-H170 PolarHBondContact O-ND1 3.12Å; V168-H170 VanDerWaalsContact C-N 3.29Å; V168-H170 PolarHBondContact O-N 2.58Å; H170-K173 CarbonylContact O-C 3.58Å; H170-K173 PolarHBondContact O-N 2.91Å; H170-N174 CarbonylContact O-C 3.56Å; H170-N174 WeakPolarHBondContact O-CA 3.39Å; H170-N174 PolarHBondContact O-N 3.2Å; H170-L175 HydrophobicContact CB-CB 4.06Å; H170-L175 WeakPolarHBondContact CB-O 3.44Å; H170-L175 PolarHBondContact O-N 3.25Å
171R92.6Very high95.2Very high78 Ų7851.4 Ų51.429%0.29424%0.24SC..Hα-helixtrans-71-43.2175.8-63.9174.362.4-165.70.5111.4V168 F169 K173 N174 A235 T238 L240V168-R171 WeakPolarHBondContact O-CB 3.42Å; V168-R171 PolarHBondContact O-N 3.15Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.47Å; R171-K173 PolarHBondContact O-N 3.1Å; R171-N174 PolarHBondContact O-N 2.9Å; R171-A235 PolarHBondContact NH1-O 2.71Å; R171-T238 PolarHBondContact NH1-O 2.66Å; R171-T238 PolarHBondContact NH2-O 2.68Å; R171-L240 HydrophobicContact CB-CD1 4.1Å; R171-L240 HydrophobicContact CB-CD2 3.9Å; R171-L240 HydrophobicContact CB-CG 4.48Å
172K92.5Very high95Very high67 Ų6747.6 Ų47.629%0.29122%0.224SC..Hα-helixtrans-59.4-28.5176.6-64.5-172177.3-173.60112.5V168 F169 L240 D246V168-K172 PolarHBondContact O-N 3.2Å; F169-K172 PolarHBondContact O-N 2.94Å; K172-L240 HydrophobicContact CG-CD1 4.39Å; K172-D246 IonicContact NZ-OD2 2.66Å; K172-D246 PolarHBondContact NZ-OD2 3.01Å
173K94.1Very high94.8Very high113 Ų11350.6 Ų50.649%0.49124%0.237SC..THydrogen-bonded Turntrans-114.88.1-177.6-62.1-57.8-179.8-167.70114.9F169 H170 R171 L175F169-K173 HydrophobicContact CE1-CB 4.43Å; F169-K173 HydrophobicContact CE1-CG 3.96Å; F169-K173 HydrophobicContact CE2-CG 3.92Å; F169-K173 HydrophobicContact CZ-CG 3.61Å; F169-K173 PolarHBondContact O-N 2.94Å; F169-K173 VanDerWaalsContact O-N 3.08Å; H170-K173 CarbonylContact O-C 3.58Å; H170-K173 PolarHBondContact O-N 2.91Å; R171-K173 PolarHBondContact O-N 3.1Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 HydrophobicContact CB-CD1 4.16Å; K173-L175 HydrophobicContact CB-CD2 4.14Å; K173-L175 HydrophobicContact CB-CG 3.82Å; K173-L175 WeakPolarHBondContact O-CD2 3.31Å; K173-L175 PolarHBondContact O-N 2.78Å
174N93.2Very high94.6Very high151 Ų15144.4 Ų44.481%0.80721%0.211SC*.THydrogen-bonded Turntrans53.542.9-177.1-16632.7000114.2H170 R171H170-N174 CarbonylContact O-C 3.56Å; H170-N174 WeakPolarHBondContact O-CA 3.39Å; H170-N174 PolarHBondContact O-N 3.2Å; R171-N174 PolarHBondContact O-N 2.9Å
175L96.5Very high94.5Very high20 Ų2045.6 Ų45.611%0.10522%0.217CC..  trans-96.9151.9176.6-45-176.6000110.3I148 F169 H170 K173I148-L175 HydrophobicContact CB-CD2 4.02Å; I148-L175 HydrophobicContact CD1-CD2 4.38Å; I148-L175 HydrophobicContact CG2-CD1 4.28Å; F169-L175 HydrophobicContact CD1-CD1 4.26Å; F169-L175 HydrophobicContact CE1-CD1 3.99Å; H170-L175 HydrophobicContact CB-CB 4.06Å; H170-L175 WeakPolarHBondContact CB-O 3.44Å; H170-L175 PolarHBondContact O-N 3.25Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 HydrophobicContact CB-CD1 4.16Å; K173-L175 HydrophobicContact CB-CD2 4.14Å; K173-L175 HydrophobicContact CB-CG 3.82Å; K173-L175 WeakPolarHBondContact O-CD2 3.31Å; K173-L175 PolarHBondContact O-N 2.78Å
176Q97.6Very high94.6Very high61 Ų6139 Ų3929%0.28519%0.187SC..EExtended strand (participates in β ladder)trans-76.9140.3167.6-17761.352.700110.3V149 L150 Y178 W194V149-Q176 WeakPolarHBondContact CA-O 3.45Å; V149-Q176 HydrophobicContact CG2-CB 4.36Å; L150-Q176 PolarHBondContact N-O 3.08Å; Q176-Y178 HydrophobicContact CG-CD2 4.02Å; Q176-Y178 HydrophobicContact CG-CE1 4.48Å; Q176-Y178 HydrophobicContact CG-CE2 3.33Å; Q176-W194 HydrophobicContact CB-CD2 3.7Å; Q176-W194 VanDerWaalsContact CB-CE2 3.44Å; Q176-W194 HydrophobicContact CB-CE3 4.1Å; Q176-W194 HydrophobicContact CB-CG 4.15Å; Q176-W194 HydrophobicContact CB-CH2 4.05Å; Q176-W194 HydrophobicContact CB-CZ2 3.64Å; Q176-W194 HydrophobicContact CB-CZ3 4.26Å; Q176-W194 HydrophobicContact CG-CD2 3.96Å; Q176-W194 HydrophobicContact CG-CG 3.84Å; Q176-W194 VanDerWaalsContact OE1-NE1 3.16Å
177Y98.3Very high94.7Very high12 Ų1237.4 Ų37.45%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-114.5142.5173.4178.3-102.5000112F121 L150 I167 D179 L232F121-Y177 AromaticContact CE1-CE2 3.69Å; F121-Y177 HydrophobicContact CE1-CE2 3.69Å; F121-Y177 AromaticContact CZ-CE2 3.78Å; F121-Y177 HydrophobicContact CZ-CE2 3.78Å; L150-Y177 HydrophobicContact CB-CD2 4.12Å; L150-Y177 HydrophobicContact CD2-CD2 3.93Å; L150-Y177 HydrophobicContact CD2-CE2 4.47Å; L150-Y177 HydrophobicContact CG-CD2 3.87Å; L150-Y177 HydrophobicContact CG-CE2 4.34Å; L150-Y177 VanDerWaalsContact O-CA 3.31Å; L150-Y177 WeakPolarHBondContact O-CA 3.49Å; L150-Y177 VanDerWaalsContact O-CD2 3.26Å; L150-Y177 WeakPolarHBondContact O-CD2 3.43Å; I167-Y177 HydrophobicContact CD1-CE1 4.34Å; I167-Y177 HydrophobicContact CD1-CE2 4.37Å; I167-Y177 WeakPolarHBondContact CD1-OH 3.45Å; I167-Y177 HydrophobicContact CG2-CD2 3.83Å; I167-Y177 HydrophobicContact CG2-CE1 4.44Å; I167-Y177 HydrophobicContact CG2-CE2 3.73Å; I167-Y177 HydrophobicContact CG2-CG 4.21Å; Y177-D179 WeakPolarHBondContact CE1-OD1 3.31Å; Y177-D179 VanDerWaalsContact CZ-OD1 3.31Å; Y177-D179 PolarHBondContact OH-OD1 3.34Å; Y177-L232 HydrophobicContact CD1-CD1 4.28Å; Y177-L232 HydrophobicContact CD1-CD2 3.72Å; Y177-L232 HydrophobicContact CE1-CD1 3.93Å; Y177-L232 HydrophobicContact CE1-CD2 3.46Å; Y177-L232 VanDerWaalsContact CE1-CD2 3.46Å; Y177-L232 HydrophobicContact CE1-CG 4.36Å
178Y98.4Very high94.4Very high42 Ų4237.2 Ų37.217%0.16517%0.174CC..EExtended strand (participates in β ladder)trans-138.5135.2165.9-65.2-67.8000112.1V149 L150 C151 G152 Q176 K190 P191 W194V149-Y178 HydrophobicContact CG1-CD2 3.74Å; V149-Y178 HydrophobicContact CG1-CE2 4.22Å; L150-Y178 PolarHBondContact O-N 2.87Å; C151-Y178 WeakPolarHBondContact CA-O 3.26Å; G152-Y178 PolarHBondContact N-O 3.46Å; Q176-Y178 HydrophobicContact CG-CD2 4.02Å; Q176-Y178 HydrophobicContact CG-CE1 4.48Å; Q176-Y178 HydrophobicContact CG-CE2 3.33Å; Y178-K190 HydrophobicContact CD1-CB 3.92Å; Y178-K190 HydrophobicContact CD1-CD 3.82Å; Y178-K190 HydrophobicContact CD2-CB 4.09Å; Y178-K190 HydrophobicContact CE1-CB 3.87Å; Y178-K190 HydrophobicContact CE1-CD 3.8Å; Y178-K190 HydrophobicContact CE1-CG 4.39Å; Y178-K190 HydrophobicContact CE2-CB 4.02Å; Y178-K190 HydrophobicContact CG-CB 4.04Å; Y178-P191 HydrophobicContact CD2-CG 4.14Å; Y178-W194 HydrophobicContact CE2-CB 4.09Å
179D98.1Very high94.2Very high2 Ų238.7 Ų38.71%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-72.1126.5157.4-89.8-5.7000108.3V155 R160 Y177 Y186 N187 L232V155-D179 HydrophobicContact CG1-CB 3.82Å; R160-D179 IonicContact CZ-OD1 3.04Å; R160-D179 IonicContact CZ-OD2 3.68Å; R160-D179 IonicContact NH1-OD1 3.04Å; R160-D179 IonicContact NH1-OD2 3.79Å; R160-D179 PolarHBondContact NH1-OD2 2.95Å; R160-D179 IonicContact NH2-OD1 3.49Å; R160-D179 PolarHBondContact NH2-OD1 2.98Å; R160-D179 IonicContact NH2-OD2 3.63Å; R160-D179 PolarHBondContact NH2-OD2 3.34Å; Y177-D179 WeakPolarHBondContact CE1-OD1 3.31Å; Y177-D179 VanDerWaalsContact CZ-OD1 3.31Å; Y177-D179 PolarHBondContact OH-OD1 3.34Å; D179-Y186 HydrophobicContact CB-CE1 4.26Å; D179-N187 WeakPolarHBondContact O-CB 3.25Å; D179-N187 PolarHBondContact O-ND2 2.68Å; D179-L232 HydrophobicContact CB-CD1 4.22Å
180I97.6Very high94.2Very high0 Ų040.9 Ų40.90%019%0.188CC..  trans-132.8157.9179.167.5168.4000111.5F57 M120 C151 G152 N153 K154 V155 Y186 N187 P191F57-I180 HydrophobicContact CD2-CD1 3.7Å; F57-I180 HydrophobicContact CE2-CD1 3.69Å; M120-I180 HydrophobicContact CE-CD1 3.98Å; C151-I180 HydrophobicContact CB-CD1 3.73Å; C151-I180 HydrophobicContact CB-CG1 4.17Å; G152-I180 PolarHBondContact O-N 3.18Å; N153-I180 CarbonylContact C-O 3.58Å; N153-I180 WeakPolarHBondContact CA-O 3.36Å; N153-I180 HydrophobicContact CB-CD1 4.18Å; N153-I180 HydrophobicContact CB-CG1 3.94Å; N153-I180 PolarHBondContact OD1-O 3.28Å; K154-I180 PolarHBondContact N-O 2.79Å; V155-I180 WeakPolarHBondContact CG2-O 3.38Å; V155-I180 PolarHBondContact N-O 3.04Å; I180-Y186 WeakPolarHBondContact CA-O 3.36Å; I180-N187 HydrophobicContact CG2-CB 4.12Å; I180-P191 HydrophobicContact CG2-CG 4.3Å
181S96.3Very high94.4Very high0 Ų039.3 Ų39.30%018%0.181CC..BIsolated β-bridgetrans-137.4110165.3167.60000110.2D156 K183 S184 N185 Y186D156-S181 VanDerWaalsContact CG-OG 3.26Å; D156-S181 VanDerWaalsContact OD1-CB 3.31Å; D156-S181 WeakPolarHBondContact OD1-CB 3.42Å; D156-S181 PolarHBondContact OD1-OG 3.49Å; S181-K183 PolarHBondContact O-N 3.43Å; S181-K183 VanDerWaalsContact O-N 3.15Å; S181-K183 PolarHBondContact OG-N 3.29Å; S181-S184 WeakPolarHBondContact CB-OG 3.46Å; S181-S184 PolarHBondContact O-N 3.07Å; S181-S184 PolarHBondContact OG-N 3.33Å; S181-S184 VanDerWaalsContact OG-N 3.17Å; S181-S184 PolarHBondContact OG-OG 2.61Å; S181-N185 WeakPolarHBondContact O-CA 3.34Å; S181-N185 PolarHBondContact O-N 3.03Å; S181-Y186 PolarHBondContact N-O 3.13Å; S181-Y186 PolarHBondContact O-N 2.87Å
182A92.6Very high94.6Very high2 Ų235.7 Ų35.72%0.01717%0.168CC..THydrogen-bonded Turntrans-63.8-13.1171.200000112.8T56 F57 R60 F66 N153 F188T56-A182 HydrophobicContact CG2-CB 4.23Å; F57-A182 HydrophobicContact CB-CB 4.32Å; R60-A182 WeakPolarHBondContact CD-O 3.45Å; R60-A182 PolarHBondContact NE-O 2.9Å; R60-A182 PolarHBondContact NH1-O 3.34Å; F66-A182 WeakPolarHBondContact CD2-O 3.43Å; N153-A182 PolarHBondContact OD1-N 2.84Å; N153-A182 VanDerWaalsContact OD1-N 3.12Å; A182-F188 HydrophobicContact CB-CE2 4.07Å
183K90.9Very high94.9Very high66 Ų6634 Ų3429%0.28716%0.161SC..THydrogen-bonded Turntrans-87.3-33178.7-162.5174.4172.3-171.70113R60 F66 S181 E217 I218R60-K183 VanDerWaalsContact NH1-C 3.33Å; R60-K183 PolarHBondContact NH1-O 3.28Å; F66-K183 HydrophobicContact CD2-CB 4.41Å; F66-K183 HydrophobicContact CD2-CG 4.33Å; F66-K183 HydrophobicContact CE1-CD 4.37Å; F66-K183 HydrophobicContact CE1-CG 4.17Å; F66-K183 HydrophobicContact CE2-CB 3.72Å; F66-K183 HydrophobicContact CE2-CG 3.78Å; F66-K183 HydrophobicContact CZ-CB 4Å; F66-K183 HydrophobicContact CZ-CD 3.98Å; F66-K183 HydrophobicContact CZ-CG 3.69Å; S181-K183 PolarHBondContact O-N 3.43Å; S181-K183 VanDerWaalsContact O-N 3.15Å; S181-K183 PolarHBondContact OG-N 3.29Å; K183-E217 HydrophobicContact CG-CB 4.17Å; K183-E217 PolarHBondContact O-N 2.84Å; K183-I218 HydrophobicContact CB-CD1 4.23Å; K183-I218 HydrophobicContact CB-CG1 4.37Å; K183-I218 HydrophobicContact CD-CD1 3.59Å; K183-I218 HydrophobicContact CD-CG1 4.13Å; K183-I218 HydrophobicContact CG-CD1 3.89Å; K183-I218 HydrophobicContact CG-CG1 3.93Å
184S90.6Very high95.1Very high12 Ų1230.6 Ų30.68%0.08415%0.146CC..THydrogen-bonded Turntrans-109.40.1-176.762.90000114.8S181 Y186 I218S181-S184 WeakPolarHBondContact CB-OG 3.46Å; S181-S184 PolarHBondContact O-N 3.07Å; S181-S184 PolarHBondContact OG-N 3.33Å; S181-S184 VanDerWaalsContact OG-N 3.17Å; S181-S184 PolarHBondContact OG-OG 2.61Å; S184-Y186 PolarHBondContact O-N 3Å; S184-Y186 WeakPolarHBondContact OG-CB 3.1Å; S184-Y186 PolarHBondContact OG-N 3.46Å; S184-I218 VanDerWaalsContact CA-O 3.25Å; S184-I218 WeakPolarHBondContact CA-O 3.45Å; S184-I218 WeakPolarHBondContact CB-O 3.37Å
185N90.4Very high95.3Very high30 Ų3023.4 Ų23.416%0.1611%0.107CC..THydrogen-bonded Turntrans61.116.9-169.6-60.2-32.1000114R60 S181 N187 F188 A214R60-N185 WeakPolarHBondContact CD-OD1 3.4Å; R60-N185 PolarHBondContact NE-OD1 3.49Å; S181-N185 WeakPolarHBondContact O-CA 3.34Å; S181-N185 PolarHBondContact O-N 3.03Å; N185-N187 PolarHBondContact O-N 3.2Å; N185-F188 HydrophobicContact CB-CB 4.42Å; N185-F188 WeakPolarHBondContact O-CB 3.47Å; N185-F188 PolarHBondContact O-N 2.85Å; N185-A214 PolarHBondContact ND2-O 3.04Å
186Y93.3Very high95.4Very high29 Ų2922.5 Ų22.511%0.11410%0.102CC..BIsolated β-bridgetrans-65.8124.4178.9-177.7-109.9000111V155 D179 I180 S181 S184 F188 M220 A225 E229V155-Y186 HydrophobicContact CG2-CD1 3.67Å; V155-Y186 HydrophobicContact CG2-CE1 4.15Å; D179-Y186 HydrophobicContact CB-CE1 4.26Å; I180-Y186 WeakPolarHBondContact CA-O 3.36Å; S181-Y186 PolarHBondContact N-O 3.13Å; S181-Y186 PolarHBondContact O-N 2.87Å; S184-Y186 PolarHBondContact O-N 3Å; S184-Y186 WeakPolarHBondContact OG-CB 3.1Å; S184-Y186 PolarHBondContact OG-N 3.46Å; Y186-F188 PolarHBondContact O-N 2.91Å; Y186-M220 HydrophobicContact CD2-CB 4.46Å; Y186-M220 HydrophobicContact CD2-CG 4.08Å; Y186-M220 HydrophobicContact CG-CG 4.17Å; Y186-A225 HydrophobicContact CD2-CB 4.45Å; Y186-A225 HydrophobicContact CE2-CB 3.7Å; Y186-E229 WeakPolarHBondContact OH-CG 3.14Å; Y186-E229 PolarHBondContact OH-OE1 3.25Å
187N93.7Very high95.4Very high21 Ų2123.3 Ų23.311%0.11210%0.103CC..THydrogen-bonded Turntrans5427.8-179.3-69.3-23.2000114.7D179 I180 N185 E189 K190 P191D179-N187 WeakPolarHBondContact O-CB 3.25Å; D179-N187 PolarHBondContact O-ND2 2.68Å; I180-N187 HydrophobicContact CG2-CB 4.12Å; N185-N187 PolarHBondContact O-N 3.2Å; N187-E189 PolarHBondContact O-N 3.08Å; N187-K190 HydrophobicContact CB-CB 4.47Å; N187-K190 HydrophobicContact CB-CD 3.86Å; N187-K190 HydrophobicContact CB-CG 4.18Å; N187-K190 PolarHBondContact O-N 3.12Å; N187-K190 WeakPolarHBondContact OD1-CD 3.27Å; N187-K190 WeakPolarHBondContact OD1-CE 2.81Å; N187-K190 PolarHBondContact OD1-NZ 2.86Å; N187-P191 WeakPolarHBondContact O-CD 3.11Å
188F89.1Confident95.4Very high0 Ų028.8 Ų28.80%013%0.127CC..  trans-64.9-40.5-167.6-155.9-125.7000113F57 R60 H61 A182 N185 Y186 L213F57-F188 HydrophobicContact CB-CE2 4.43Å; F57-F188 AromaticContact CD2-CD2 3.67Å; F57-F188 HydrophobicContact CD2-CD2 3.67Å; F57-F188 AromaticContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CZ 4.1Å; F57-F188 AromaticContact CE2-CD2 3.62Å; F57-F188 HydrophobicContact CE2-CD2 3.62Å; F57-F188 AromaticContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CG 4.41Å; F57-F188 HydrophobicContact CE2-CZ 4.46Å; F57-F188 HydrophobicContact CG-CE2 4.03Å; F57-F188 WeakPolarHBondContact O-CZ 3.35Å; R60-F188 HydrophobicContact CB-CE1 4.15Å; R60-F188 HydrophobicContact CB-CZ 3.63Å; R60-F188 HydrophobicContact CG-CE1 3.88Å; R60-F188 HydrophobicContact CG-CZ 3.7Å; H61-F188 HydrophobicContact CB-CE1 4.31Å; H61-F188 AromaticContact CD2-CD1 3.83Å; H61-F188 AromaticContact CD2-CE1 3.68Å; H61-F188 AromaticContact CE1-CD1 3.07Å; H61-F188 WeakPolarHBondContact CE1-CD1 3.33Å; H61-F188 AromaticContact CE1-CD2 3.76Å; H61-F188 AromaticContact CE1-CE1 2.95Å; H61-F188 WeakPolarHBondContact CE1-CE1 3.26Å; H61-F188 AromaticContact CE1-CE2 3.64Å; H61-F188 AromaticContact CE1-CG 3.47Å; H61-F188 VanDerWaalsContact CE1-CG 3.47Å; H61-F188 WeakPolarHBondContact CE1-CG 3.31Å; H61-F188 AromaticContact CE1-CZ 3.21Å; H61-F188 WeakPolarHBondContact CE1-CZ 3.19Å; H61-F188 PolarHBondContact CE1-O 3.08Å; H61-F188 AromaticContact CG-CE1 3.44Å; H61-F188 VanDerWaalsContact CG-CE1 3.44Å; H61-F188 AromaticContact CG-CZ 3.94Å; H61-F188 AromaticContact ND1-CD1 3.66Å; H61-F188 AromaticContact ND1-CE1 3Å; H61-F188 WeakPolarHBondContact ND1-CE1 3.49Å; H61-F188 AromaticContact ND1-CE2 3.88Å; H61-F188 AromaticContact ND1-CZ 3.09Å; H61-F188 WeakPolarHBondContact ND1-CZ 3.36Å; H61-F188 AromaticContact NE2-CD1 3.21Å; H61-F188 WeakPolarHBondContact NE2-CD1 3.49Å; H61-F188 AromaticContact NE2-CE1 3.41Å; H61-F188 WeakPolarHBondContact NE2-CE1 3.43Å; H61-F188 AromaticContact NE2-CG 3.81Å; H61-F188 PolarHBondContact NE2-O 3.23Å; A182-F188 HydrophobicContact CB-CE2 4.07Å; N185-F188 HydrophobicContact CB-CB 4.42Å; N185-F188 WeakPolarHBondContact O-CB 3.47Å; N185-F188 PolarHBondContact O-N 2.85Å; Y186-F188 PolarHBondContact O-N 2.91Å; F188-L213 HydrophobicContact CD1-CD1 3.78Å; F188-L213 HydrophobicContact CD1-CD2 3.9Å; F188-L213 HydrophobicContact CE1-CD1 4.39Å; F188-L213 HydrophobicContact CE1-CD2 3.69Å
189E91.9Very high95.4Very high55 Ų5528.9 Ų28.926%0.25713%0.13SC..SBendtrans-80.9-17.9178.266.9-89-172.900114.9N187 F192 L193 F207N187-E189 PolarHBondContact O-N 3.08Å; E189-F192 PolarHBondContact O-N 3.02Å; E189-L193 PolarHBondContact O-N 2.78Å; E189-F207 HydrophobicContact CB-CD2 3.99Å; E189-F207 HydrophobicContact CB-CE2 3.94Å; E189-F207 HydrophobicContact CG-CD2 4.4Å
190K96.1Very high95.4Very high65 Ų6532 Ų3228%0.28315%0.146SC..Hα-helixtrans-58.5-42.4-171.1-69.3-168.6177.7166.60113.8Y178 N187 L193 W194 E229Y178-K190 HydrophobicContact CD1-CB 3.92Å; Y178-K190 HydrophobicContact CD1-CD 3.82Å; Y178-K190 HydrophobicContact CD2-CB 4.09Å; Y178-K190 HydrophobicContact CE1-CB 3.87Å; Y178-K190 HydrophobicContact CE1-CD 3.8Å; Y178-K190 HydrophobicContact CE1-CG 4.39Å; Y178-K190 HydrophobicContact CE2-CB 4.02Å; Y178-K190 HydrophobicContact CG-CB 4.04Å; N187-K190 HydrophobicContact CB-CB 4.47Å; N187-K190 HydrophobicContact CB-CD 3.86Å; N187-K190 HydrophobicContact CB-CG 4.18Å; N187-K190 PolarHBondContact O-N 3.12Å; N187-K190 WeakPolarHBondContact OD1-CD 3.27Å; N187-K190 WeakPolarHBondContact OD1-CE 2.81Å; N187-K190 PolarHBondContact OD1-NZ 2.86Å; K190-L193 PolarHBondContact O-N 3.32Å; K190-W194 PolarHBondContact O-N 3.44Å; K190-E229 IonicContact NZ-OE1 2.79Å
191P98.3Very high95.4Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-58.9-47.2175.8-2636.2000112.6F57 I118 V149 C151 Y178 I180 N187 W194 L195F57-P191 HydrophobicContact CZ-CG 4.36Å; I118-P191 HydrophobicContact CD1-CB 3.85Å; I118-P191 HydrophobicContact CG1-CB 4.47Å; V149-P191 HydrophobicContact CB-CB 4.44Å; V149-P191 HydrophobicContact CG1-CB 4Å; V149-P191 HydrophobicContact CG1-CG 4.42Å; C151-P191 VanDerWaalsContact SG-CG 3.52Å; Y178-P191 HydrophobicContact CD2-CG 4.14Å; I180-P191 HydrophobicContact CG2-CG 4.3Å; N187-P191 WeakPolarHBondContact O-CD 3.11Å; P191-W194 PolarHBondContact O-N 3.27Å; P191-L195 WeakPolarHBondContact O-CB 3.36Å; P191-L195 VanDerWaalsContact O-CG 3.29Å; P191-L195 WeakPolarHBondContact O-CG 3.4Å; P191-L195 PolarHBondContact O-N 2.97Å
192F97.8Very high95.4Very high1 Ų136.1 Ų36.10%0.00418%0.183CC..Hα-helixtrans-66.4-42-179.6-65.6-79.8000111.9L44 F57 H61 L81 F83 Y92 V94 I118 E189 W194 L195 A196 F207L44-F192 HydrophobicContact CD1-CD1 4.12Å; L44-F192 HydrophobicContact CD1-CE1 3.85Å; F57-F192 AromaticContact CE1-CE2 3.42Å; F57-F192 HydrophobicContact CE1-CE2 3.42Å; F57-F192 VanDerWaalsContact CE1-CE2 3.42Å; F57-F192 AromaticContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CZ-CD2 4.23Å; F57-F192 AromaticContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CE2 3.43Å; F57-F192 VanDerWaalsContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CZ 4.15Å; H61-F192 AromaticContact CD2-CE2 3.96Å; H61-F192 AromaticContact CE1-CD2 4Å; H61-F192 AromaticContact CE1-CE2 3.35Å; H61-F192 WeakPolarHBondContact CE1-CE2 3.22Å; H61-F192 AromaticContact ND1-CE2 3.77Å; H61-F192 AromaticContact NE2-CD2 3.68Å; H61-F192 AromaticContact NE2-CE2 3.45Å; H61-F192 WeakPolarHBondContact NE2-CE2 3.46Å; L81-F192 HydrophobicContact CD1-CE1 4.03Å; L81-F192 HydrophobicContact CD1-CZ 3.76Å; F83-F192 HydrophobicContact CE1-CB 4.07Å; F83-F192 HydrophobicContact CE1-CD2 4.19Å; F83-F192 HydrophobicContact CE1-CG 4.1Å; F83-F192 HydrophobicContact CE2-CB 4.11Å; F83-F192 AromaticContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD2 4.33Å; F83-F192 HydrophobicContact CE2-CE1 4.02Å; F83-F192 AromaticContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CZ-CB 3.81Å; F83-F192 AromaticContact CZ-CD1 3.71Å; F83-F192 HydrophobicContact CZ-CD1 3.71Å; F83-F192 AromaticContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CE1 4.12Å; F83-F192 HydrophobicContact CZ-CE2 4.01Å; F83-F192 AromaticContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CG 3.41Å; F83-F192 VanDerWaalsContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CZ 4.25Å; Y92-F192 AromaticContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CE1 4.32Å; Y92-F192 HydrophobicContact CE2-CB 4.29Å; Y92-F192 AromaticContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CG-CD1 4.14Å; Y92-F192 HydrophobicContact CG-CE1 4.44Å; Y92-F192 PolarHBondContact OH-O 2.97Å; V94-F192 HydrophobicContact CG2-CE1 4.2Å; I118-F192 HydrophobicContact CD1-CZ 4.39Å; E189-F192 PolarHBondContact O-N 3.02Å; F192-W194 PolarHBondContact O-N 2.92Å; F192-L195 PolarHBondContact O-N 3.22Å; F192-A196 WeakPolarHBondContact O-CB 3.42Å; F192-A196 PolarHBondContact O-N 3.29Å; F192-F207 HydrophobicContact CB-CE2 4.2Å; F192-F207 HydrophobicContact CB-CZ 3.97Å
193L97.6Very high95.6Very high31 Ų3140.6 Ų40.616%0.16221%0.211CC..Hα-helixtrans-62.9-43.6178.9-178.260.5000111.7E189 K190 A196 R197 L205 F207E189-L193 PolarHBondContact O-N 2.78Å; K190-L193 PolarHBondContact O-N 3.32Å; L193-A196 PolarHBondContact O-N 3.26Å; L193-R197 WeakPolarHBondContact O-CG 3.36Å; L193-R197 PolarHBondContact O-N 3.38Å; L193-L205 HydrophobicContact CD1-CD2 3.7Å; L193-F207 HydrophobicContact CB-CD2 4.37Å; L193-F207 HydrophobicContact CB-CE1 4.48Å; L193-F207 HydrophobicContact CB-CE2 3.84Å; L193-F207 HydrophobicContact CB-CZ 3.93Å; L193-F207 HydrophobicContact CD1-CD1 3.87Å; L193-F207 HydrophobicContact CD1-CD2 4.43Å; L193-F207 HydrophobicContact CD1-CE1 3.88Å; L193-F207 HydrophobicContact CD1-CE2 4.43Å; L193-F207 HydrophobicContact CD1-CG 4.17Å; L193-F207 HydrophobicContact CD1-CZ 4.18Å
194W98.5Very high95.8Very high43 Ų4342.7 Ų42.716%0.16323%0.226CC..Hα-helixtrans-64.6-43.4177.2-17596000111.8P147 V149 Q176 Y178 K190 P191 F192 A196 R197 K198P147-W194 HydrophobicContact CB-CH2 4.31Å; P147-W194 HydrophobicContact CB-CZ3 3.86Å; V149-W194 HydrophobicContact CG2-CD2 4.22Å; V149-W194 HydrophobicContact CG2-CE3 3.41Å; V149-W194 VanDerWaalsContact CG2-CE3 3.41Å; V149-W194 HydrophobicContact CG2-CZ3 3.83Å; Q176-W194 HydrophobicContact CB-CD2 3.7Å; Q176-W194 VanDerWaalsContact CB-CE2 3.44Å; Q176-W194 HydrophobicContact CB-CE3 4.1Å; Q176-W194 HydrophobicContact CB-CG 4.15Å; Q176-W194 HydrophobicContact CB-CH2 4.05Å; Q176-W194 HydrophobicContact CB-CZ2 3.64Å; Q176-W194 HydrophobicContact CB-CZ3 4.26Å; Q176-W194 HydrophobicContact CG-CD2 3.96Å; Q176-W194 HydrophobicContact CG-CG 3.84Å; Q176-W194 VanDerWaalsContact OE1-NE1 3.16Å; Y178-W194 HydrophobicContact CE2-CB 4.09Å; K190-W194 PolarHBondContact O-N 3.44Å; P191-W194 PolarHBondContact O-N 3.27Å; F192-W194 PolarHBondContact O-N 2.92Å; W194-A196 VanDerWaalsContact C-N 3.33Å; W194-A196 PolarHBondContact O-N 3.41Å; W194-R197 PolarHBondContact O-N 3.11Å; W194-K198 HydrophobicContact CD2-CG 4Å; W194-K198 HydrophobicContact CE3-CG 3.97Å; W194-K198 HydrophobicContact CH2-CD 4.43Å; W194-K198 HydrophobicContact CH2-CG 3.78Å; W194-K198 HydrophobicContact CZ2-CD 4.17Å; W194-K198 HydrophobicContact CZ2-CG 3.77Å; W194-K198 HydrophobicContact CZ3-CG 3.88Å; W194-K198 WeakPolarHBondContact O-CG 3.21Å; W194-K198 PolarHBondContact O-N 3.05Å
195L98.6Very high96.1Very high0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-60.5-43.4174.9-72.8175.5000111.3L44 Y92 C116 I118 P147 V149 P191 F192 R197 K198 L199L44-L195 HydrophobicContact CD1-CD1 3.58Å; L44-L195 HydrophobicContact CG-CD1 4.47Å; Y92-L195 HydrophobicContact CE1-CB 4.46Å; C116-L195 HydrophobicContact CB-CD1 4.19Å; C116-L195 HydrophobicContact CB-CD2 3.75Å; C116-L195 HydrophobicContact CB-CG 4.44Å; I118-L195 HydrophobicContact CD1-CD1 4.33Å; I118-L195 HydrophobicContact CG1-CD1 3.98Å; P147-L195 HydrophobicContact CB-CD2 3.87Å; P147-L195 HydrophobicContact CG-CD2 4.23Å; P147-L195 WeakPolarHBondContact O-CD2 3.45Å; V149-L195 HydrophobicContact CG2-CD1 4.29Å; V149-L195 HydrophobicContact CG2-CD2 3.84Å; V149-L195 HydrophobicContact CG2-CG 3.75Å; P191-L195 WeakPolarHBondContact O-CB 3.36Å; P191-L195 VanDerWaalsContact O-CG 3.29Å; P191-L195 WeakPolarHBondContact O-CG 3.4Å; P191-L195 PolarHBondContact O-N 2.97Å; F192-L195 PolarHBondContact O-N 3.22Å; L195-R197 PolarHBondContact O-N 3.31Å; L195-K198 PolarHBondContact O-N 2.82Å; L195-L199 HydrophobicContact CB-CD1 4.38Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 WeakPolarHBondContact O-CD1 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 3.02Å
196A97.9Very high96.3Very high0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-60-47.4178.200000111I90 Y92 F192 L193 W194 K198 L199 I200 L205 F207I90-A196 HydrophobicContact CD1-CB 3.98Å; Y92-A196 WeakPolarHBondContact OH-CA 3.44Å; Y92-A196 WeakPolarHBondContact OH-CB 3.37Å; Y92-A196 PolarHBondContact OH-N 2.9Å; F192-A196 WeakPolarHBondContact O-CB 3.42Å; F192-A196 PolarHBondContact O-N 3.29Å; L193-A196 PolarHBondContact O-N 3.26Å; W194-A196 VanDerWaalsContact C-N 3.33Å; W194-A196 PolarHBondContact O-N 3.41Å; A196-K198 VanDerWaalsContact C-N 3.3Å; A196-K198 PolarHBondContact O-N 2.84Å; A196-L199 PolarHBondContact O-N 3.33Å; A196-I200 VanDerWaalsContact O-CB 3.27Å; A196-I200 WeakPolarHBondContact O-CB 3.36Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.35Å; A196-L205 HydrophobicContact CB-CD1 4.23Å; A196-L205 HydrophobicContact CB-CD2 3.77Å; A196-F207 HydrophobicContact CB-CE1 4.49Å
197R98.4Very high96.4Very high78 Ų7846.5 Ų46.529%0.29424%0.242SC..Hα-helixtrans-57.4-42.6175.9-71.2170.6174.3177.4-5.5112.2L193 W194 L195 G201 D202 P203 L205L193-R197 WeakPolarHBondContact O-CG 3.36Å; L193-R197 PolarHBondContact O-N 3.38Å; W194-R197 PolarHBondContact O-N 3.11Å; L195-R197 PolarHBondContact O-N 3.31Å; R197-G201 WeakPolarHBondContact O-CA 3.46Å; R197-G201 PolarHBondContact O-N 3.08Å; R197-D202 WeakPolarHBondContact CA-O 3.3Å; R197-D202 WeakPolarHBondContact CB-O 3.35Å; R197-D202 WeakPolarHBondContact CG-O 3.43Å; R197-D202 PolarHBondContact O-N 2.8Å; R197-P203 PolarHBondContact NE-O 3.04Å; R197-L205 HydrophobicContact CG-CB 3.96Å; R197-L205 PolarHBondContact NE-O 3.25Å; R197-L205 PolarHBondContact NH2-O 3.5Å
198K98.2Very high96.3Very high128 Ų12850.2 Ų50.256%0.55727%0.265SS*.Hα-helixtrans-70.8-42.2179.1-72.3-62.9-172.1179.90113.3P147 W194 L195 A196P147-K198 HydrophobicContact CB-CB 3.96Å; P147-K198 HydrophobicContact CB-CG 4.47Å; P147-K198 HydrophobicContact CG-CB 4.38Å; W194-K198 HydrophobicContact CD2-CG 4Å; W194-K198 HydrophobicContact CE3-CG 3.97Å; W194-K198 HydrophobicContact CH2-CD 4.43Å; W194-K198 HydrophobicContact CH2-CG 3.78Å; W194-K198 HydrophobicContact CZ2-CD 4.17Å; W194-K198 HydrophobicContact CZ2-CG 3.77Å; W194-K198 HydrophobicContact CZ3-CG 3.88Å; W194-K198 WeakPolarHBondContact O-CG 3.21Å; W194-K198 PolarHBondContact O-N 3.05Å; L195-K198 PolarHBondContact O-N 2.82Å; A196-K198 VanDerWaalsContact C-N 3.3Å; A196-K198 PolarHBondContact O-N 2.84Å
199L97.8Very high95.9Very high43 Ų4352.6 Ų52.623%0.22528%0.284CS..Hα-helixtrans-72.7-37.5-177.8-70.5164.5000112.5F42 Y92 Q115 C116 P147 L195 A196F42-L199 HydrophobicContact CB-CD1 4.16Å; F42-L199 HydrophobicContact CD1-CB 4.37Å; F42-L199 HydrophobicContact CD1-CD1 3.96Å; F42-L199 HydrophobicContact CD1-CD2 4.08Å; F42-L199 HydrophobicContact CD1-CG 4.37Å; F42-L199 HydrophobicContact CD2-CD1 3.83Å; F42-L199 HydrophobicContact CE1-CB 3.9Å; F42-L199 HydrophobicContact CE1-CD1 4.32Å; F42-L199 HydrophobicContact CE1-CD2 4.19Å; F42-L199 HydrophobicContact CE1-CG 4.37Å; F42-L199 HydrophobicContact CE2-CB 4.04Å; F42-L199 HydrophobicContact CE2-CD1 4.18Å; F42-L199 HydrophobicContact CG-CD1 3.71Å; F42-L199 HydrophobicContact CZ-CB 3.73Å; F42-L199 HydrophobicContact CZ-CD1 4.43Å; Y92-L199 HydrophobicContact CE1-CD1 3.8Å; Q115-L199 HydrophobicContact CB-CD2 4.39Å; Q115-L199 WeakPolarHBondContact O-CD2 3.47Å; C116-L199 HydrophobicContact CB-CD1 3.99Å; C116-L199 HydrophobicContact CB-CD2 4.41Å; P147-L199 HydrophobicContact CG-CD2 3.74Å; P147-L199 HydrophobicContact CG-CG 4.02Å; L195-L199 HydrophobicContact CB-CD1 4.38Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 WeakPolarHBondContact O-CD1 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 3.02Å; A196-L199 PolarHBondContact O-N 3.33Å
200I97.3Very high94.8Very high67 Ų6756.4 Ų56.434%0.34430%0.304SS..Hα-helixtrans-82.5-24.3177.5-58.2-60.9000111.5V40 F42 I90 A196 D202 L205V40-I200 HydrophobicContact CG1-CD1 4.01Å; F42-I200 HydrophobicContact CE2-CD1 4.01Å; F42-I200 HydrophobicContact CZ-CD1 3.86Å; I90-I200 HydrophobicContact CD1-CD1 4.01Å; I90-I200 HydrophobicContact CD1-CG1 3.75Å; A196-I200 VanDerWaalsContact O-CB 3.27Å; A196-I200 WeakPolarHBondContact O-CB 3.36Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.35Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 HydrophobicContact CG2-CB 4.16Å; I200-L205 HydrophobicContact CB-CD1 4.08Å; I200-L205 HydrophobicContact CG1-CD1 3.84Å; I200-L205 HydrophobicContact CG2-CD1 4.21Å
201G97.3Very high93.4Very high61 Ų6154.6 Ų54.663%0.62930%0.299SS*.THydrogen-bonded Turntrans76.320-175.200000113.7R197R197-G201 WeakPolarHBondContact O-CA 3.46Å; R197-G201 PolarHBondContact O-N 3.08Å
202D97.1Very high91.9Very high27 Ų2759.4 Ų59.414%0.14434%0.339CS..  trans-116.2107.4177.8-174.3-6.1000110.7R87 R197 I200 N204 L205R87-D202 IonicContact CZ-OD2 3.23Å; R87-D202 IonicContact NE-OD2 3.63Å; R87-D202 PolarHBondContact NE-OD2 2.93Å; R87-D202 IonicContact NH2-OD2 2.73Å; R87-D202 PolarHBondContact NH2-OD2 3.27Å; R197-D202 WeakPolarHBondContact CA-O 3.3Å; R197-D202 WeakPolarHBondContact CB-O 3.35Å; R197-D202 WeakPolarHBondContact CG-O 3.43Å; R197-D202 PolarHBondContact O-N 2.8Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 HydrophobicContact CG2-CB 4.16Å; D202-N204 PolarHBondContact O-N 3.02Å; D202-N204 WeakPolarHBondContact OD1-CA 3.3Å; D202-N204 WeakPolarHBondContact OD1-CB 3.36Å; D202-N204 PolarHBondContact OD1-N 2.84Å; D202-L205 HydrophobicContact CB-CB 4.33Å; D202-L205 WeakPolarHBondContact O-CB 3.5Å; D202-L205 PolarHBondContact O-N 3.16Å
203P96.1Very high90.4Very high95 Ų9561.4 Ų61.462%0.61735%0.349SS*.THydrogen-bonded Turntrans-68.4-19.517828.8-34.4000113.4R197 L205R197-P203 PolarHBondContact NE-O 3.04Å; P203-L205 VanDerWaalsContact C-N 3.32Å
204N96.4Very high89.1Confident110 Ų11061.6 Ų61.659%0.58836%0.355SS*.THydrogen-bonded Turntrans-92.88.8179.7-55.4-51000112.5N86 D202 E206N86-N204 PolarHBondContact ND2-O 3.18Å; D202-N204 PolarHBondContact O-N 3.02Å; D202-N204 WeakPolarHBondContact OD1-CA 3.3Å; D202-N204 WeakPolarHBondContact OD1-CB 3.36Å; D202-N204 PolarHBondContact OD1-N 2.84Å; N204-E206 PolarHBondContact O-N 3.42Å
205L96.9Very high87.9Confident0 Ų064.9 Ų64.90%038%0.382CS..  trans-64.3131.8172.4-174.8154.9000109.4T85 N86 R87 I90 L193 A196 R197 I200 D202 P203 F207T85-L205 HydrophobicContact CG2-CD1 4.48Å; T85-L205 HydrophobicContact CG2-CD2 3.92Å; T85-L205 HydrophobicContact CG2-CG 4.37Å; N86-L205 WeakPolarHBondContact OD1-CA 3.42Å; R87-L205 HydrophobicContact CG-CD1 4.47Å; I90-L205 HydrophobicContact CD1-CD1 3.89Å; L193-L205 HydrophobicContact CD1-CD2 3.7Å; A196-L205 HydrophobicContact CB-CD1 4.23Å; A196-L205 HydrophobicContact CB-CD2 3.77Å; R197-L205 HydrophobicContact CG-CB 3.96Å; R197-L205 PolarHBondContact NE-O 3.25Å; R197-L205 PolarHBondContact NH2-O 3.5Å; I200-L205 HydrophobicContact CB-CD1 4.08Å; I200-L205 HydrophobicContact CG1-CD1 3.84Å; I200-L205 HydrophobicContact CG2-CD1 4.21Å; D202-L205 HydrophobicContact CB-CB 4.33Å; D202-L205 WeakPolarHBondContact O-CB 3.5Å; D202-L205 PolarHBondContact O-N 3.16Å; P203-L205 VanDerWaalsContact C-N 3.32Å; L205-F207 HydrophobicContact CD2-CD1 4.44Å; L205-F207 HydrophobicContact CD2-CE1 4.31Å
206E94.9Very high87Confident114 Ų11467.2 Ų67.253%0.53340%0.397SS..  trans-135.3149179.9-68.4-175.5168.200110.4T85 N86 N204T85-E206 CarbonylContact C-O 3.52Å; T85-E206 WeakPolarHBondContact CA-O 2.93Å; T85-E206 WeakPolarHBondContact CB-O 3.26Å; N86-E206 PolarHBondContact N-O 3.11Å; N86-E206 PolarHBondContact OD1-N 3.09Å; N86-E206 PolarHBondContact OD1-O 3.17Å; N204-E206 PolarHBondContact O-N 3.42Å
207F93.6Very high85.9Confident38 Ų3870.7 Ų70.717%0.16741%0.413CS..BIsolated β-bridgetrans-78.6125.1170.3-65-18.2000109.5F83 H84 T85 E189 F192 L193 A196 L205F83-F207 HydrophobicContact CB-CD1 4.23Å; F83-F207 HydrophobicContact CB-CE1 3.76Å; F83-F207 HydrophobicContact CB-CZ 3.91Å; F83-F207 HydrophobicContact CD1-CD2 4.03Å; F83-F207 HydrophobicContact CD1-CE1 4.25Å; F83-F207 AromaticContact CD1-CE2 3.47Å; F83-F207 HydrophobicContact CD1-CE2 3.47Å; F83-F207 VanDerWaalsContact CD1-CE2 3.47Å; F83-F207 AromaticContact CD1-CZ 3.59Å; F83-F207 HydrophobicContact CD1-CZ 3.59Å; F83-F207 AromaticContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CZ 4.28Å; F83-F207 HydrophobicContact CG-CE1 4.21Å; F83-F207 HydrophobicContact CG-CE2 4.19Å; F83-F207 AromaticContact CG-CZ 3.83Å; F83-F207 HydrophobicContact CG-CZ 3.83Å; H84-F207 WeakPolarHBondContact O-CA 3.44Å; T85-F207 HydrophobicContact CG2-CD1 3.85Å; T85-F207 HydrophobicContact CG2-CE1 3.98Å; E189-F207 HydrophobicContact CB-CD2 3.99Å; E189-F207 HydrophobicContact CB-CE2 3.94Å; E189-F207 HydrophobicContact CG-CD2 4.4Å; F192-F207 HydrophobicContact CB-CE2 4.2Å; F192-F207 HydrophobicContact CB-CZ 3.97Å; L193-F207 HydrophobicContact CB-CD2 4.37Å; L193-F207 HydrophobicContact CB-CE1 4.48Å; L193-F207 HydrophobicContact CB-CE2 3.84Å; L193-F207 HydrophobicContact CB-CZ 3.93Å; L193-F207 HydrophobicContact CD1-CD1 3.87Å; L193-F207 HydrophobicContact CD1-CD2 4.43Å; L193-F207 HydrophobicContact CD1-CE1 3.88Å; L193-F207 HydrophobicContact CD1-CE2 4.43Å; L193-F207 HydrophobicContact CD1-CG 4.17Å; L193-F207 HydrophobicContact CD1-CZ 4.18Å; A196-F207 HydrophobicContact CB-CE1 4.49Å; L205-F207 HydrophobicContact CD2-CD1 4.44Å; L205-F207 HydrophobicContact CD2-CE1 4.31Å
208V92.3Very high85.2Confident99 Ų9969.7 Ų69.760%0.641%0.413SS*.SBendtrans-93.8-13.2-177.8-64.90000112.8H84 N86H84-V208 HydrophobicContact CB-CG2 4.03Å; H84-V208 WeakPolarHBondContact O-CG2 3.35Å; H84-V208 PolarHBondContact O-N 3.04Å; N86-V208 HydrophobicContact CB-CG1 3.89Å
209A81.9Confident84.6Confident49 Ų4970.7 Ų70.741%0.40542%0.424SS..SBendtrans-138.5135.2170.600000108.4H84H84-A209 HydrophobicContact CB-CB 4.42Å
210M68.4Low84.1Confident135 Ų13569.9 Ų69.967%0.66542%0.419SS*.  trans-68.2137.6164.7-65.5-169.1114.800107.8
211P66.1Low83.8Confident28 Ų2870 Ų7018%0.18242%0.42CS..  trans-49.8145.4164.2-21.932000108.9F83 L213F83-P211 HydrophobicContact CD1-CG 3.94Å; F83-P211 HydrophobicContact CE1-CG 3.78Å; P211-L213 HydrophobicContact CB-CD2 4.39Å; P211-L213 HydrophobicContact CB-CG 4.43Å; P211-L213 PolarHBondContact O-N 2.9Å
212A66.3Low83.4Confident101 Ų10172.1 Ų72.184%0.83542%0.423SS*.  trans-67.777177.900000110.1
213L67.6Low83.1Confident43 Ų4374.6 Ų74.623%0.22544%0.443CS..PPolyproline II helixtrans-77.8134.5178.3-62.3176.1000108.7R60 F188 P211R60-L213 WeakPolarHBondContact O-CD2 3.18Å; F188-L213 HydrophobicContact CD1-CD1 3.78Å; F188-L213 HydrophobicContact CD1-CD2 3.9Å; F188-L213 HydrophobicContact CE1-CD1 4.39Å; F188-L213 HydrophobicContact CE1-CD2 3.69Å; P211-L213 HydrophobicContact CB-CD2 4.39Å; P211-L213 HydrophobicContact CB-CG 4.43Å; P211-L213 PolarHBondContact O-N 2.9Å
214A69.7Low82.8Confident35 Ų3571.4 Ų71.429%0.28942%0.42SS..PPolyproline II helixtrans-65155.4169.200000109.6G64 N185G64-A214 WeakPolarHBondContact O-CB 3.39Å; N185-A214 PolarHBondContact ND2-O 3.04Å
215P73.6Confident82.5Confident111 Ų11166.7 Ų66.772%0.72140%0.397SS*.PPolyproline II helixtrans-50.5144.7178.7-26.734.3000112.3R60R60-P215 PolarHBondContact NH2-O 2.85Å; R60-P215 VanDerWaalsContact NH2-O 3.07Å
216P78.7Confident82.3Confident49 Ų4969.4 Ų69.432%0.31842%0.419SS..PPolyproline II helixtrans-56.6139.2175.424.8-33.5000111.1R60 I218 L219R60-P216 VanDerWaalsContact NH2-CA 3.3Å; P216-I218 WeakPolarHBondContact CB-O 3.42Å; P216-I218 PolarHBondContact O-N 2.9Å; P216-L219 HydrophobicContact CB-CD2 4.48Å; P216-L219 HydrophobicContact CG-CD2 3.62Å
217E75.6Confident82.1Confident74 Ų7469.1 Ų69.135%0.34642%0.418SS..SBendtrans-69.6-30.8174.3-73.4-153.7157.200111.3F66 K68 K183F66-E217 HydrophobicContact CB-CG 3.79Å; F66-E217 HydrophobicContact CD1-CG 4.05Å; F66-E217 VanDerWaalsContact CD1-OE1 3.27Å; F66-E217 WeakPolarHBondContact CD1-OE1 3.25Å; F66-E217 WeakPolarHBondContact CD1-OE2 3.33Å; F66-E217 HydrophobicContact CG-CG 4.02Å; K68-E217 VanDerWaalsContact CE-CD 3.45Å; K68-E217 WeakPolarHBondContact CE-OE1 3.39Å; K68-E217 WeakPolarHBondContact CE-OE2 3.21Å; K68-E217 IonicContact NZ-OE1 2.7Å; K183-E217 HydrophobicContact CG-CB 4.17Å; K183-E217 PolarHBondContact O-N 2.84Å
218I84.2Confident82Confident56 Ų5668 Ų6829%0.28741%0.413SS..SBendtrans-138.4143.4175.764.5-178.9000108.3D156 K183 S184 P216D156-I218 HydrophobicContact CB-CD1 3.53Å; D156-I218 HydrophobicContact CB-CG1 4.48Å; D156-I218 VanDerWaalsContact OD2-CD1 3.3Å; D156-I218 WeakPolarHBondContact OD2-CD1 3.25Å; K183-I218 HydrophobicContact CB-CD1 4.23Å; K183-I218 HydrophobicContact CB-CG1 4.37Å; K183-I218 HydrophobicContact CD-CD1 3.59Å; K183-I218 HydrophobicContact CD-CG1 4.13Å; K183-I218 HydrophobicContact CG-CD1 3.89Å; K183-I218 HydrophobicContact CG-CG1 3.93Å; S184-I218 VanDerWaalsContact CA-O 3.25Å; S184-I218 WeakPolarHBondContact CA-O 3.45Å; S184-I218 WeakPolarHBondContact CB-O 3.37Å; P216-I218 WeakPolarHBondContact CB-O 3.42Å; P216-I218 PolarHBondContact O-N 2.9Å
219L85.3Confident82Confident149 Ų14967.9 Ų67.978%0.7841%0.406SS*.PPolyproline II helixtrans-81.6132171.4-63.5173.1000108.9P216 D221P216-L219 HydrophobicContact CB-CD2 4.48Å; P216-L219 HydrophobicContact CG-CD2 3.62Å; L219-D221 PolarHBondContact O-N 3.35Å
220M87.4Confident82.5Confident26 Ų2671 Ų7113%0.12841%0.411CS..PPolyproline II helixtrans-64131.1168.5-172.265.1-177.900108.3V155 D156 Y186 P222 L224 A225 Y228V155-M220 HydrophobicContact CB-CE 4.45Å; V155-M220 HydrophobicContact CG2-CE 3.95Å; V155-M220 HydrophobicContact CG2-SD 4.37Å; D156-M220 HydrophobicContact CB-SD 4.3Å; Y186-M220 HydrophobicContact CD2-CB 4.46Å; Y186-M220 HydrophobicContact CD2-CG 4.08Å; Y186-M220 HydrophobicContact CG-CG 4.17Å; M220-P222 VanDerWaalsContact O-CD 3.3Å; M220-P222 WeakPolarHBondContact O-CD 3.25Å; M220-L224 HydrophobicContact CE-CB 4.36Å; M220-L224 HydrophobicContact CE-CD2 3.96Å; M220-L224 HydrophobicContact CE-CG 4.02Å; M220-A225 HydrophobicContact CE-CB 4.47Å; M220-A225 HydrophobicContact CG-CB 4.06Å; M220-Y228 HydrophobicContact CE-CD2 3.92Å; M220-Y228 HydrophobicContact CE-CE2 3.93Å
221D90.1Very high83.6Confident69 Ų6967.4 Ų67.437%0.36940%0.395SS..PPolyproline II helixtrans-63.4119.1175.2-179.8-20.4000109.1L219 S223 L224 A225L219-D221 PolarHBondContact O-N 3.35Å; D221-S223 VanDerWaalsContact CG-OG 3.26Å; D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 WeakPolarHBondContact OD1-CB 3.41Å; D221-S223 PolarHBondContact OD1-N 3.3Å; D221-S223 PolarHBondContact OD1-OG 3.14Å; D221-S223 PolarHBondContact OD2-OG 2.73Å; D221-L224 HydrophobicContact CB-CB 3.87Å; D221-L224 PolarHBondContact O-N 3.21Å; D221-L224 VanDerWaalsContact O-N 3.12Å; D221-A225 PolarHBondContact O-N 2.93Å
222P89.4Confident84.7Confident106 Ų10668 Ų6869%0.68840%0.396SS*.Hα-helixtrans-59.6-33.5-177-24.934.6000113.3M220 A226M220-P222 VanDerWaalsContact O-CD 3.3Å; M220-P222 WeakPolarHBondContact O-CD 3.25Å; P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.2Å
223S91.6Very high85.9Confident80 Ų8069.3 Ų69.356%0.55938%0.383SS*.Hα-helixtrans-68.5-40.6178.468.50000111.3D221 Q227D221-S223 VanDerWaalsContact CG-OG 3.26Å; D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 WeakPolarHBondContact OD1-CB 3.41Å; D221-S223 PolarHBondContact OD1-N 3.3Å; D221-S223 PolarHBondContact OD1-OG 3.14Å; D221-S223 PolarHBondContact OD2-OG 2.73Å; S223-Q227 WeakPolarHBondContact O-CB 3.48Å; S223-Q227 PolarHBondContact O-N 3.09Å
224L89.4Confident87.1Confident27 Ų2770 Ų7014%0.14139%0.389CS..Hα-helixtrans-68.8-40.5176.6-172.563000111.7M220 D221 Q227 Y228M220-L224 HydrophobicContact CE-CB 4.36Å; M220-L224 HydrophobicContact CE-CD2 3.96Å; M220-L224 HydrophobicContact CE-CG 4.02Å; D221-L224 HydrophobicContact CB-CB 3.87Å; D221-L224 PolarHBondContact O-N 3.21Å; D221-L224 VanDerWaalsContact O-N 3.12Å; L224-Q227 PolarHBondContact O-N 2.98Å; L224-Y228 HydrophobicContact CD1-CE1 3.93Å; L224-Y228 HydrophobicContact CD1-CE2 3.91Å; L224-Y228 HydrophobicContact CD2-CE2 3.99Å; L224-Y228 HydrophobicContact CG-CD2 4.15Å; L224-Y228 HydrophobicContact CG-CE2 3.63Å; L224-Y228 PolarHBondContact O-N 3.19Å
225A90.1Very high88Confident12 Ų1269 Ų6910%0.09938%0.381CS..Hα-helixtrans-59.7-49.6174.900000111.3Y186 M220 D221 Q227 Y228 E229Y186-A225 HydrophobicContact CD2-CB 4.45Å; Y186-A225 HydrophobicContact CE2-CB 3.7Å; M220-A225 HydrophobicContact CE-CB 4.47Å; M220-A225 HydrophobicContact CG-CB 4.06Å; D221-A225 PolarHBondContact O-N 2.93Å; A225-Q227 VanDerWaalsContact C-N 3.31Å; A225-Q227 PolarHBondContact O-N 3Å; A225-Y228 PolarHBondContact O-N 2.99Å; A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.03Å
226A91.2Very high88.6Confident56 Ų5666.8 Ų66.846%0.46337%0.368SS..Hα-helixtrans-61.2-39.4177.100000112.2P222 E229 H230P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.2Å; A226-E229 PolarHBondContact O-N 3.15Å; A226-H230 WeakPolarHBondContact O-CB 3.21Å; A226-H230 PolarHBondContact O-N 3.02Å
227Q92.5Very high88.9Confident108 Ų10871.1 Ų71.151%0.50538%0.384SS..Hα-helixtrans-61.4-46.8174.9-177179.1700111.6S223 L224 A225 H230 D231S223-Q227 WeakPolarHBondContact O-CB 3.48Å; S223-Q227 PolarHBondContact O-N 3.09Å; L224-Q227 PolarHBondContact O-N 2.98Å; A225-Q227 VanDerWaalsContact C-N 3.31Å; A225-Q227 PolarHBondContact O-N 3Å; Q227-H230 PolarHBondContact O-N 3.02Å; Q227-D231 WeakPolarHBondContact O-CB 3.31Å; Q227-D231 VanDerWaalsContact O-CG 3.32Å; Q227-D231 PolarHBondContact O-N 3.31Å
228Y91.1Very high89.4Confident16 Ų1671.3 Ų71.36%0.06339%0.39CS..Hα-helixtrans-66.3-38179.1-69.5-25.9000113V155 R160 M220 L224 A225 H230 D231 L232V155-Y228 HydrophobicContact CB-CD2 4.24Å; V155-Y228 HydrophobicContact CB-CE2 4.04Å; V155-Y228 WeakPolarHBondContact O-CE2 3.31Å; R160-Y228 VanDerWaalsContact NH1-CG 3.32Å; M220-Y228 HydrophobicContact CE-CD2 3.92Å; M220-Y228 HydrophobicContact CE-CE2 3.93Å; L224-Y228 HydrophobicContact CD1-CE1 3.93Å; L224-Y228 HydrophobicContact CD1-CE2 3.91Å; L224-Y228 HydrophobicContact CD2-CE2 3.99Å; L224-Y228 HydrophobicContact CG-CD2 4.15Å; L224-Y228 HydrophobicContact CG-CE2 3.63Å; L224-Y228 PolarHBondContact O-N 3.19Å; A225-Y228 PolarHBondContact O-N 2.99Å; Y228-H230 VanDerWaalsContact C-N 3.35Å; Y228-D231 PolarHBondContact O-N 2.97Å; Y228-L232 WeakPolarHBondContact O-CB 3.4Å; Y228-L232 VanDerWaalsContact O-CG 3.31Å; Y228-L232 WeakPolarHBondContact O-CG 3.03Å; Y228-L232 PolarHBondContact O-N 2.7Å
229E91Very high89.4Confident96 Ų9672.7 Ų72.745%0.44941%0.41SS..Hα-helixtrans-63.1-42.1173.1-70.7-173.2158.900111.8Y186 K190 A225 A226 L232 K233Y186-E229 WeakPolarHBondContact OH-CG 3.14Å; Y186-E229 PolarHBondContact OH-OE1 3.25Å; K190-E229 IonicContact NZ-OE1 2.79Å; A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.03Å; A226-E229 PolarHBondContact O-N 3.15Å; E229-L232 PolarHBondContact O-N 3.39Å; E229-K233 PolarHBondContact O-N 3.23Å
230H93.2Very high89.1Confident113 Ų11368.5 Ų68.552%0.52339%0.388SS..Hα-helixtrans-62-48.6174.5-179.573.7000111.9A226 Q227 Y228 L232 K233 V234A226-H230 WeakPolarHBondContact O-CB 3.21Å; A226-H230 PolarHBondContact O-N 3.02Å; Q227-H230 PolarHBondContact O-N 3.02Å; Y228-H230 VanDerWaalsContact C-N 3.35Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 PolarHBondContact O-N 3.12Å; H230-K233 WeakPolarHBondContact O-CB 3.5Å; H230-K233 PolarHBondContact O-N 2.93Å; H230-K233 VanDerWaalsContact O-N 3.13Å; H230-V234 WeakPolarHBondContact O-CG2 3.09Å; H230-V234 PolarHBondContact O-N 2.77Å
231D91.6Very high88.5Confident60 Ų6070.4 Ų70.432%0.32140%0.402SS..Hα-helixtrans-59.9-38.6179.1-76.5-10.3000111.9A164 Q227 Y228 A235A164-D231 HydrophobicContact CB-CB 3.9Å; Q227-D231 WeakPolarHBondContact O-CB 3.31Å; Q227-D231 VanDerWaalsContact O-CG 3.32Å; Q227-D231 PolarHBondContact O-N 3.31Å; Y228-D231 PolarHBondContact O-N 2.97Å; D231-A235 VanDerWaalsContact O-CB 3.26Å; D231-A235 WeakPolarHBondContact O-CB 3.37Å; D231-A235 PolarHBondContact O-N 2.81Å
232L90.3Very high87.6Confident40 Ų4073.3 Ų73.321%0.20942%0.418CS..Hα-helixtrans-67.1-41.2175.3-75.4171.7000112.2A164 Y177 D179 Y228 E229 H230 A235 S236A164-L232 HydrophobicContact CB-CD2 3.74Å; A164-L232 HydrophobicContact CB-CG 4.14Å; Y177-L232 HydrophobicContact CD1-CD1 4.28Å; Y177-L232 HydrophobicContact CD1-CD2 3.72Å; Y177-L232 HydrophobicContact CE1-CD1 3.93Å; Y177-L232 HydrophobicContact CE1-CD2 3.46Å; Y177-L232 VanDerWaalsContact CE1-CD2 3.46Å; Y177-L232 HydrophobicContact CE1-CG 4.36Å; D179-L232 HydrophobicContact CB-CD1 4.22Å; Y228-L232 WeakPolarHBondContact O-CB 3.4Å; Y228-L232 VanDerWaalsContact O-CG 3.31Å; Y228-L232 WeakPolarHBondContact O-CG 3.03Å; Y228-L232 PolarHBondContact O-N 2.7Å; E229-L232 PolarHBondContact O-N 3.39Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 PolarHBondContact O-N 3.12Å; L232-A235 PolarHBondContact O-N 3.39Å; L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 3.44Å
233K90.8Very high86.1Confident130 Ų13076 Ų7657%0.56542%0.421SS*.Hα-helixtrans-61.2-49.4175.6-174178.5177.5-176.30111E229 H230 A235 S236 E237E229-K233 PolarHBondContact O-N 3.23Å; H230-K233 WeakPolarHBondContact O-CB 3.5Å; H230-K233 PolarHBondContact O-N 2.93Å; H230-K233 VanDerWaalsContact O-N 3.13Å; K233-A235 VanDerWaalsContact C-N 3.33Å; K233-A235 PolarHBondContact O-N 2.92Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.15Å; K233-E237 VanDerWaalsContact CE-OE1 3.3Å; K233-E237 WeakPolarHBondContact CE-OE1 3.37Å; K233-E237 PolarHBondContact O-N 3.4Å
234V92Very high84.2Confident56 Ų5678.8 Ų78.834%0.33943%0.43SS..Hα-helixtrans-59.7-43.5176.9174.20000111.3H230 S236 E237 T238H230-V234 WeakPolarHBondContact O-CG2 3.09Å; H230-V234 PolarHBondContact O-N 2.77Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 PolarHBondContact O-N 3.11Å; V234-E237 PolarHBondContact O-N 3.48Å; V234-T238 PolarHBondContact O-N 3.32Å; V234-T238 VanDerWaalsContact O-N 3.15Å; V234-T238 PolarHBondContact O-OG1 3.35Å
235A88.3Confident82.4Confident16 Ų1684 Ų8413%0.13246%0.458CS..Hα-helixtrans-65.5-30.3177.900000113A164 R171 D231 L232 K233A164-A235 HydrophobicContact CB-CB 4.16Å; R171-A235 PolarHBondContact NH1-O 2.71Å; D231-A235 VanDerWaalsContact O-CB 3.26Å; D231-A235 WeakPolarHBondContact O-CB 3.37Å; D231-A235 PolarHBondContact O-N 2.81Å; L232-A235 PolarHBondContact O-N 3.39Å; K233-A235 VanDerWaalsContact C-N 3.33Å; K233-A235 PolarHBondContact O-N 2.92Å
236S85.9Confident80.4Confident64 Ų6489.1 Ų89.145%0.44848%0.484SS..Hα-helixtrans-71-30.7176.476.40000113.1L232 K233 V234L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 3.44Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.15Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 PolarHBondContact O-N 3.11Å
237E86.8Confident77.8Confident140 Ų14097.4 Ų97.465%0.65452%0.519SS*.Hα-helixtrans-84.5-19.1178.9-66.4169.8-172.300112.6K233 V234K233-E237 VanDerWaalsContact CE-OE1 3.3Å; K233-E237 WeakPolarHBondContact CE-OE1 3.37Å; K233-E237 PolarHBondContact O-N 3.4Å; V234-E237 PolarHBondContact O-N 3.48Å
238T86.3Confident77.1Confident77 Ų7796.9 Ų96.947%0.47252%0.52SS..SBendtrans-72.9141.7176.6-50.90000110.8R171 V234R171-T238 PolarHBondContact NH1-O 2.66Å; R171-T238 PolarHBondContact NH2-O 2.68Å; V234-T238 PolarHBondContact O-N 3.32Å; V234-T238 VanDerWaalsContact O-N 3.15Å; V234-T238 PolarHBondContact O-OG1 3.35Å
239A83Confident76.3Confident85 Ų85101.2 Ų101.270%0.70254%0.544SS*.PPolyproline II helixtrans-58.2149.8171.900000111.5
240L79.4Confident75.5Confident62 Ų62101.4 Ų101.433%0.32555%0.549SS..PPolyproline II helixtrans-70.2141.4171.4-69.6173.5000108.9V168 R171 K172V168-L240 HydrophobicContact CB-CD2 3.89Å; V168-L240 HydrophobicContact CG1-CD2 4.07Å; R171-L240 HydrophobicContact CB-CD1 4.1Å; R171-L240 HydrophobicContact CB-CD2 3.9Å; R171-L240 HydrophobicContact CB-CG 4.48Å; K172-L240 HydrophobicContact CG-CD1 4.39Å
241P74.5Confident74.5Confident65 Ų65100.8 Ų100.842%0.42255%0.551SS.*PPolyproline II helixtrans-61.5148.3167.927.1-32.2000109.6
242D70.6Confident73.4Confident131 Ų131103.3 Ų103.370%0.70157%0.565SS**PPolyproline II helixtrans-59.2147.9179.4-65.8-40.5000110.7D244 D245D242-D244 PolarHBondContact O-N 3.42Å; D242-D244 VanDerWaalsContact O-N 3.09Å; D242-D245 PolarHBondContact O-N 2.78Å
243E58.6Low72.3Confident161 Ų161107.5 Ų107.575%0.75259%0.589SS**G310 helixtrans-63.7-17.1-172.1-70.4-166.3146.100114.1D245E243-D245 VanDerWaalsContact C-N 3.34Å; E243-D245 PolarHBondContact O-N 3.48Å
244D52Low70.9Confident140 Ų140105.9 Ų105.975%0.74959%0.591SS**G310 helixtrans-78.7-9.6-173.6-65.5-34.7000114.6D242 D246D242-D244 PolarHBondContact O-N 3.42Å; D242-D244 VanDerWaalsContact O-N 3.09Å; D244-D246 PolarHBondContact O-N 3.16Å
245D51.4Low69.3Low136 Ų136109.8 Ų109.873%0.72761%0.61SS**G310 helixtrans-83.2-3.9-177.6-91-15.7000114.5D242 E243D242-D245 PolarHBondContact O-N 2.78Å; E243-D245 VanDerWaalsContact C-N 3.34Å; E243-D245 PolarHBondContact O-N 3.48Å
246D48.4Very low67.7Low119 Ų119117.6 Ų117.664%0.63665%0.65SS**G310 helixtrans-110.922.7-173.6-78.5-37.2000114.4K172 D244K172-D246 IonicContact NZ-OD2 2.66Å; K172-D246 PolarHBondContact NZ-OD2 3.01Å; D244-D246 PolarHBondContact O-N 3.16Å
247L35.8Very low66.1Low231 Ų231122.5 Ų122.5100%1.20967%0.668SS**  trans-850168.9-81.1172000113.1

Retrieved 247 of 247 residues in 1423.1 ms (Link to these results)